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125174-85-8 | Benzenemethanesulfonic acid, 4-chloro-
CAS No: 125174-85-8 Catalog No: AG000NAS MDL No:
Product Description
Catalog Number:
AG000NAS
Chemical Name:
Benzenemethanesulfonic acid, 4-chloro-
CAS Number:
125174-85-8
Molecular Formula:
C7H7ClO3S
Molecular Weight:
206.6467
IUPAC Name:
(4-chlorophenyl)methanesulfonic acid
InChI:
InChI=1S/C7H7ClO3S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H,9,10,11)
InChI Key:
VYOCAQNWUMDGNH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CS(=O)(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.64g/mol
Monoisotopic Mass:
205.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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