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107-57-3

Basic Information
CAS No.: 107-57-3
Name: 3-chloro-2-hydroxypropanesulphonic acid
Article Data: 7
Molecular Structure:
Molecular Structure of 107-57-3 (3-chloro-2-hydroxypropanesulphonic acid)
Formula: C3H7ClO4S
Molecular Weight: 174.605
Synonyms: 3-Chloro-2-hydroxypropane-1-sulfonic acid;2-Hydroxy-3-chloropropanesulfonate-;3-Chloro-2-hydroxy-1-propanesulfonic acid;
EINECS: 203-504-0
Density: 1.649 g/cm3
PSA: 82.98000
LogP: 0.55470
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Specification

The 1-Propanesulfonic acid,3-chloro-2-hydroxy-, with the CAS registry number 107-57-3, is also known as 2-Hydroxy-3-chloropropanesulfonate-. Its EINECS number is 203-504-0. The molecular formula of this chemical is C3H7ClO4S and molecular weight is 174.60. What's more, its systematic name is 3-Chloro-2-hydroxypropane-1-sulfonic acid. 

Physical properties of 1-Propanesulfonic acid,3-chloro-2-hydroxy- are: (1)ACD/LogP: -1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.28; (4)ACD/LogD (pH 7.4): -5.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 32.62 cm3; (15)Molar Volume: 105.8 cm3; (16)Polarizability: 12.93×10-24 cm3; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.649 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(CCl)O)S(=O)(=O)O
(2)InChI: InChI=1S/C3H7ClO4S/c4-1-3(5)2-9(6,7)8/h3,5H,1-2H2,(H,6,7,8)
(3)InChIKey: DDLBHIIDBLGOTE-UHFFFAOYSA-N