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Name |
Benzeneacetic acid,3-chloro-a-hydroxy-, (aS)- |
EINECS | N/A |
CAS No. | 32222-43-8 | Density | 1.468 g/cm3 |
PSA | 57.53000 | LogP | 1.45800 |
Solubility | N/A | Melting Point |
None °C |
Formula | C8H7ClO3 | Boiling Point | 350.3 °C at 760 mmHg |
Molecular Weight | 186.595 | Flash Point | 165.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzeneaceticacid, 3-chloro-a-hydroxy-,(S)-;Mandelic acid, m-chloro-, (S)-(+)- (8CI);(+)-3-Chloromandelic acid;(2S)-2-(3-Chlorophenyl)-2-hydroxyacetic acid;(S)-(+)-3-Chloromandelic acid;(S)-(3-Chlorophenyl)(hydroxy)ethanoic acid;(S)-3-Chloromandelic acid;(S)-m-Chloromandelic acid; |
Article Data | 46 |
The Benzeneacetic acid, 3-chloro-a-hydroxy-, (aS)-, with the CAS registry number 32222-43-8, is also known as (S)-2-Chloromandelic acid. This chemical's molecular formula is C8H7ClO3 and molecular weight is 186.59. What's more, its systematic name is (2S)-(2-Chlorophenyl)(hydroxy)ethanoic acid.
Physical properties about Benzeneacetic acid, 3-chloro-a-hydroxy-, (aS)- are: (1)ACD/LogP: 1.52; (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: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.605; (12)Molar Refractivity: 43.79 cm3; (13)Molar Volume: 127 cm3; (14)Polarizability: 17.36×10-24 cm3; (15)Surface Tension: 62.2 dyne/cm; (16)Density: 1.468 g/cm3; (17)Flash Point: 165.7 °C; (18)Enthalpy of Vaporization: 62.78 kJ/mol; (19)Boiling Point: 350.3 °C at 760 mmHg; (20)Vapour Pressure: 1.66E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1[C@H](O)C(=O)O
(2) InChI: InChI=1/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
(3) InChIKey: RWOLDZZTBNYTMS-ZETCQYMHBQ