Home Halogens 2-[2-(bromomethyl)phenyl]-2-methylpropanenitrile

2-[2-(bromomethyl)phenyl]-2-methylpropanenitrile

CAS No.:
1421601-14-0
Catalog Number:
AG01A0GN
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
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Product Description
Catalog Number:
AG01A0GN
Chemical Name:
2-[2-(bromomethyl)phenyl]-2-methylpropanenitrile
CAS Number:
1421601-14-0
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
MDL Number:
MFCD22392057
IUPAC Name:
2-[2-(bromomethyl)phenyl]-2-methylpropanenitrile
InChI:
InChI=1S/C11H12BrN/c1-11(2,8-13)10-6-4-3-5-9(10)7-12/h3-6H,7H2,1-2H3
InChI Key:
KQJPRRCCABIPBT-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1CBr)(C)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.128g/mol
Monoisotopic Mass:
237.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties