Home Halogens 5-chloro-2-(phenylsulfanyl)benzoic acid

5-chloro-2-(phenylsulfanyl)benzoic acid

CAS No.:
13421-01-7
Catalog Number:
AG01A6V8
Molecular Formula:
C13H9ClO2S
Molecular Weight:
264.7274
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Product Description
Catalog Number:
AG01A6V8
Chemical Name:
5-chloro-2-(phenylsulfanyl)benzoic acid
CAS Number:
13421-01-7
Molecular Formula:
C13H9ClO2S
Molecular Weight:
264.7274
MDL Number:
MFCD16280981
IUPAC Name:
5-chloro-2-phenylsulfanylbenzoic acid
InChI:
InChI=1S/C13H9ClO2S/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChI Key:
AWTIBEQBLHXDAR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)Sc1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.001g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.723g/mol
Monoisotopic Mass:
264.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties