Home Nitriles 2-(1-cyano-1-methylethyl)benzonitrile

2-(1-cyano-1-methylethyl)benzonitrile

CAS No.:
99911-10-1
Catalog Number:
AG00VUW1
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
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Product Description
Catalog Number:
AG00VUW1
Chemical Name:
2-(1-cyano-1-methylethyl)benzonitrile
CAS Number:
99911-10-1
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD19695420
IUPAC Name:
2-(2-cyanopropan-2-yl)benzonitrile
InChI:
InChI=1S/C11H10N2/c1-11(2,8-13)10-6-4-3-5-9(10)7-12/h3-6H,1-2H3
InChI Key:
WGHVHAMMEOJGMS-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(C#N)(C)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties