Home Nitriles 2-(4-broMophenyl)propanenitrile

2-(4-broMophenyl)propanenitrile

CAS No.:
42186-06-1
Catalog Number:
AG00CLBZ
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG00CLBZ
Chemical Name:
2-(4-broMophenyl)propanenitrile
CAS Number:
42186-06-1
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD11036513
IUPAC Name:
2-(4-bromophenyl)propanenitrile
InChI:
InChI=1S/C9H8BrN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3
InChI Key:
FSSOXPFLDSMDKO-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)C#N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties