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102925-87-1

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Basic Information
CAS No.: 102925-87-1
Name: 2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole
Molecular Structure:
Molecular Structure of 102925-87-1 (2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole)
Formula: C9H7N3O4
Molecular Weight: 221.17
Synonyms: 2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole;
Density: 1.384 g/cm3
Boiling Point: 373 °C at 760 mmHg
Flash Point: 179.4 °C
PSA: 93.97000
LogP: 2.17660
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  • 1,3,4-Oxadiazole,2-methoxy-5-(4-nitrophenyl)-

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  • 1,3,4-Oxadiazole,2-methoxy-5-(4-nitrophenyl)-

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  • 2-METHOXY-5-(4-NITROPHENYL)-1,3,4-OXADIAZOLE

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    2-METHOXY-5-(4-NITROPHENYL)-1,3,4-OXADIAZOLE

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    2-METHOXY-5-(4-NITROPHENYL)-1,3,4-OXADIAZOLEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 1,3,4-Oxadiazole,2-methoxy-5-(4-nitrophenyl)-

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    1,3,4-Oxadiazole,2-methoxy-5-(4-nitrophenyl)-

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The 1,3,4-Oxadiazole,2-methoxy-5-(4-nitrophenyl)- has the CAS registry number 102925-87-1. This chemical's molecular formula is C9H7N3O4 and molecular weight is 221.17. What's more, its systematic name is 2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole.

Physical properties of 1,3,4-Oxadiazole,2-methoxy-5-(4-nitrophenyl)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.41; (6)ACD/BCF (pH 7.4): 37.41; (7)ACD/KOC (pH 5.5): 465.1; (8)ACD/KOC (pH 7.4): 465.1; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 93.97 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 52.55 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 20.83×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.384 g/cm3; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 59.59 kJ/mol; (21)Boiling Point: 373 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H7N3O4/c1-15-9-11-10-8(16-9)6-2-4-7(5-3-6)12(13)14/h2-5H,1H3
(3)InChIKey: YKGDYDUGVHEJSG-UHFFFAOYSA-N