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178671-47-1

178671-47-1 | Benzamide, 4-chloro-N-(4-mercaptophenyl)-

CAS No: 178671-47-1 Catalog No: AG00268I MDL No:

Product Description

Catalog Number:
AG00268I
Chemical Name:
Benzamide, 4-chloro-N-(4-mercaptophenyl)-
CAS Number:
178671-47-1
Molecular Formula:
C13H10ClNOS
Molecular Weight:
263.7426
IUPAC Name:
4-chloro-N-(4-sulfanylphenyl)benzamide
InChI:
InChI=1S/C13H10ClNOS/c14-10-3-1-9(2-4-10)13(16)15-11-5-7-12(17)8-6-11/h1-8,17H,(H,15,16)
InChI Key:
QZKCSEJIUOKBRH-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)NC(=O)c1ccc(cc1)Cl

Properties

Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.017g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.739g/mol
Monoisotopic Mass:
263.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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