Home Nitriles 2-(2-methylpropyl)benzonitrile

2-(2-methylpropyl)benzonitrile

CAS No.:
13670-97-8
Catalog Number:
AG01BCZY
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
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Product Description
Catalog Number:
AG01BCZY
Chemical Name:
2-(2-methylpropyl)benzonitrile
CAS Number:
13670-97-8
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD30476058
IUPAC Name:
2-(2-methylpropyl)benzonitrile
InChI:
InChI=1S/C11H13N/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,9H,7H2,1-2H3
InChI Key:
ZEQDWUSZTQOXGL-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CC(C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties