Home Nitriles 2-(4-Bromophenyl)-3-methylbutanenitrile

2-(4-Bromophenyl)-3-methylbutanenitrile

CAS No.:
51632-12-3
Catalog Number:
AG00DJAR
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
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Product Description
Catalog Number:
AG00DJAR
Chemical Name:
2-(4-Bromophenyl)-3-methylbutanenitrile
CAS Number:
51632-12-3
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
MDL Number:
MFCD11592218
IUPAC Name:
2-(4-bromophenyl)-3-methylbutanenitrile
InChI:
InChI=1S/C11H12BrN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3
InChI Key:
HVKBRQVNADDWAP-UHFFFAOYSA-N
SMILES:
CC(C(c1ccc(cc1)Br)C#N)C
Properties
Complexity:
195  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties