Home Halogens Benzoic acid,4-[[(4-chlorophenyl)thio]methyl]-

Benzoic acid,4-[[(4-chlorophenyl)thio]methyl]-

CAS No.:
88382-51-8
Catalog Number:
AG004FR4
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
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Product Description
Catalog Number:
AG004FR4
Chemical Name:
Benzoic acid,4-[[(4-chlorophenyl)thio]methyl]-
CAS Number:
88382-51-8
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
MDL Number:
MFCD00494342
IUPAC Name:
4-[(4-chlorophenyl)sulfanylmethyl]benzoic acid
InChI:
InChI=1S/C14H11ClO2S/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
WLILBDMBJNDKRT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SCc1ccc(cc1)C(=O)O
NSC Number:
635239
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.75g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties