Home Other Building Blocks 3-(cyanomethyl)benzamide

3-(cyanomethyl)benzamide

CAS No.:
1181458-10-5
Catalog Number:
AG019V4I
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG019V4I
Chemical Name:
3-(cyanomethyl)benzamide
CAS Number:
1181458-10-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD12197020
IUPAC Name:
3-(cyanomethyl)benzamide
InChI:
InChI=1S/C9H8N2O/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6H,4H2,(H2,11,12)
InChI Key:
DPYRAILBOJTIRV-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)C(=O)N
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties