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Name |
Glycine,N-[(3-chloro-4-fluorophenyl)sulfonyl]- |
EINECS | N/A |
CAS No. | 613657-33-3 | Density | 1.599 g/cm3 |
PSA | 91.85000 | LogP | 2.31370 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7ClFNO4S | Boiling Point | 457.8 °C at 760 mmHg |
Molecular Weight | 267.66 | Flash Point | 230.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine; |
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