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17174-98-0

17174-98-0 | 2-Cyanobenzamide

CAS No: 17174-98-0 Catalog No: AG003H48 MDL No:MFCD00014797

Product Description

Catalog Number:
AG003H48
Chemical Name:
2-Cyanobenzamide
CAS Number:
17174-98-0
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD00014797
IUPAC Name:
2-cyanobenzamide
InChI:
InChI=1S/C8H6N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H2,10,11)
InChI Key:
STQPCKPKAIRSEL-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(=O)N
EC Number:
241-224-0
NSC Number:
28289

Properties

Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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