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613657-33-3

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Basic Information
CAS No.: 613657-33-3
Name: N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine
Molecular Structure:
Molecular Structure of 613657-33-3 (N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine)
Formula: C8H7ClFNO4S
Molecular Weight: 267.66
Synonyms: N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine;
Density: 1.599 g/cm3
Boiling Point: 457.8 °C at 760 mmHg
Flash Point: 230.7 °C
PSA: 91.85000
LogP: 2.31370
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  • Glycine,N-[(3-chloro-4-fluorophenyl)sulfonyl]-

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    Glycine,N-[(3-chloro-4-fluorophenyl)sulfonyl]-

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    Glycine,N-[(3-chloro-4-fluorophenyl)sulfonyl]-Appearance: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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  • Glycine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-

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    Glycine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-

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  • N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine

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    613657-33-3

    N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine

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Specification

The Glycine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-, with the CAS registry number 613657-33-3, is also known as 2-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}acetic acid. This chemical's molecular formula is C8H7ClFNO4S and molecular weight is 267.66. What's more, its systematic name is N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine.

Physical properties about Glycine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.06 Å2; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 55.07 cm3; (13)Molar Volume: 167.3 cm3; (14)Polarizability: 21.83×10-24 cm3; (15)Surface Tension: 56.3 dyne/cm; (16)Density: 1.599 g/cm3; (17)Flash Point: 230.7 °C; (18)Enthalpy of Vaporization: 75.66 kJ/mol; (19)Boiling Point: 457.8 °C at 760 mmHg; (20)Vapour Pressure: 3.55E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1Cl)S(=O)(=O)NCC(=O)O
(2) InChI: InChI=1/C8H7ClFNO4S/c9-6-3-5(1-2-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
(3) InChIKey: RCRPLYVUYSMZDL-UHFFFAOYAB