Products Categories
CAS No.: | 32222-43-8 |
---|---|
Name: | (S)-3-CHLOROMANDELIC ACID |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C8H7ClO3 |
Molecular Weight: | 186.595 |
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; |
Density: | 1.468 g/cm3 |
Melting Point: | None °C |
Boiling Point: | 350.3 °C at 760 mmHg |
Flash Point: | 165.7 °C |
PSA: | 57.53000 |
LogP: | 1.45800 |
What can I do for you?
Get Best Price
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