Home Nitriles Benzenepropanenitrile, 2-broMo-

Benzenepropanenitrile, 2-broMo-

CAS No.:
61698-07-5
Catalog Number:
AG00EJKY
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG00EJKY
Chemical Name:
Benzenepropanenitrile, 2-broMo-
CAS Number:
61698-07-5
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD09836151
IUPAC Name:
3-(2-bromophenyl)propanenitrile
InChI:
InChI=1S/C9H8BrN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2
InChI Key:
SZLHFTWIJCWDER-UHFFFAOYSA-N
SMILES:
N#CCCc1ccccc1Br
Properties
Complexity:
158  
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:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties