Home Other Building Blocks N-(2-cyano-2-methylethyl)benzamide

N-(2-cyano-2-methylethyl)benzamide

CAS No.:
70964-88-4
Catalog Number:
AG01ABQ4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
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Product Description
Catalog Number:
AG01ABQ4
Chemical Name:
N-(2-cyano-2-methylethyl)benzamide
CAS Number:
70964-88-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD16833885
IUPAC Name:
N-(2-cyanopropyl)benzamide
InChI:
InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)
InChI Key:
AWGRQXJTSPUZDZ-UHFFFAOYSA-N
SMILES:
CC(C#N)CNC(=O)c1ccccc1
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties