Home Halogens 2-(4-bromo-3-methylphenyl)-2-methylpropanenitrile

2-(4-bromo-3-methylphenyl)-2-methylpropanenitrile

CAS No.:
1006390-25-5
Catalog Number:
AG01BC1H
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
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Product Description
Catalog Number:
AG01BC1H
Chemical Name:
2-(4-bromo-3-methylphenyl)-2-methylpropanenitrile
CAS Number:
1006390-25-5
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
MDL Number:
MFCD19695356
IUPAC Name:
2-(4-bromo-3-methylphenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C11H12BrN/c1-8-6-9(4-5-10(8)12)11(2,3)7-13/h4-6H,1-3H3
InChI Key:
AZUKMMFEPRVVEF-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)C)Br)(C)C
Properties
Complexity:
226  
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:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties