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Basic Information
CAS No.: 139481-28-0
Name: BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER
Molecular Structure:
Molecular Structure of 139481-28-0 (BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER)
Formula: C22H17N3O4
Molecular Weight: 387.395
Synonyms: Methyl2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate;
Density: 1.339 g/cm3
Boiling Point: 595.483 °C at 760 mmHg
Flash Point: 313.937 °C
PSA: 107.94000
LogP: 5.12838
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    Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate

    Min.Order: 2 Kilogram

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  • BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER

  • Casno:

    139481-28-0

    BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER

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  • Methyl2-[[(2'-cyanobiphenyl-4-yl)Methyl]aMino]-3-nitrobenzoate

  • Casno:

    139481-28-0

    Methyl2-[[(2'-cyanobiphenyl-4-yl)Methyl]aMino]-3-nitrobenzoate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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    Address:NO4,R&D Port,Changzhou Science&Education Town,18-50 Changwuzhong Road,Wujin Disctrict,Changhzou,Jiangsu

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  • Benzoic acid,2-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-, methyl ester

  • Casno:

    139481-28-0

    Benzoic acid,2-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-, methyl ester

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    ChAppearance:yellow crystalline powder Package:1kg/Aluminum barrel , 5kg/Aluminum barrel and 25kg/Carton Application:Candesartan cilexetil intermediate Transportation

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  • 139481-28-0

  • Casno:

    139481-28-0

    139481-28-0

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • Methyl 2-[[(2'-Cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate

  • Casno:

    139481-28-0

    Methyl 2-[[(2'-Cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Specification

This chemical is called Methyl 2-{[(2'-cyanobiphenyl-4-yl)methyl]amino}-3-nitrobenzoate, and its CAS registry number is 139481-28-0. With the molecular formula of C22H17N3O4, its molecular weight is 387.39.

Other characteristics of the Methyl 2-{[(2'-cyanobiphenyl-4-yl)methyl]amino}-3-nitrobenzoate can be summarised as followings: (1)ACD/LogP: 5.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 11962; (6)ACD/BCF (pH 7.4): 11962; (7)ACD/KOC (pH 5.5): 28871; (8)ACD/KOC (pH 7.4): 28871; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 107.94 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 106.161 cm3; (15)Molar Volume: 289.37 cm3; (16)Polarizability: 42.085×10-24cm3; (17)Surface Tension: 66.515 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 313.937 °C; (20)Enthalpy of Vaporization: 88.738 kJ/mol; (21)Boiling Point: 595.483 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccccc1c3ccc(CNc2c(cccc2N(=O)=O)C(=O)OC)cc3
2.InChI: InChI=1/C22H17N3O4/c1-29-22(26)19-7-4-8-20(25(27)28)21(19)24-14-15-9-11-16(12-10-15)18-6-3-2-5-17(18)13-23/h2-12,24H,14H2,1H3 3.InChIKey: ZIRAEAZVSCADHC-UHFFFAOYAL