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163725-12-0

163725-12-0 | Benzoic acid, 2-[(2-cyanophenyl)thio]-

CAS No: 163725-12-0 Catalog No: AG001UCO MDL No:MFCD00075348

Product Description

Catalog Number:
AG001UCO
Chemical Name:
Benzoic acid, 2-[(2-cyanophenyl)thio]-
CAS Number:
163725-12-0
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
MDL Number:
MFCD00075348
IUPAC Name:
2-(2-cyanophenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C14H9NO2S/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17)
InChI Key:
FMGHXZOIAXNGOL-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Sc1ccccc1C(=O)O

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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