Home Other Building Blocks 4-[(2-cyanophenyl)sulfanyl]benzoic acid

4-[(2-cyanophenyl)sulfanyl]benzoic acid

CAS No.:
1021236-88-3
Catalog Number:
AG019TX4
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
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Product Description
Catalog Number:
AG019TX4
Chemical Name:
4-[(2-cyanophenyl)sulfanyl]benzoic acid
CAS Number:
1021236-88-3
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
MDL Number:
MFCD11528954
IUPAC Name:
4-(2-cyanophenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C14H9NO2S/c15-9-11-3-1-2-4-13(11)18-12-7-5-10(6-8-12)14(16)17/h1-8H,(H,16,17)
InChI Key:
KXOKZLLQIKJLJD-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Sc1ccc(cc1)C(=O)O
Properties
Complexity:
341  
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  
Properties