Home Nitriles (2-Bromo-4-nitro-phenyl)-acetonitrile

(2-Bromo-4-nitro-phenyl)-acetonitrile

CAS No.:
543683-48-3
Catalog Number:
AG00JPG8
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
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Product Description
Catalog Number:
AG00JPG8
Chemical Name:
(2-Bromo-4-nitro-phenyl)-acetonitrile
CAS Number:
543683-48-3
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD12152243
IUPAC Name:
2-(2-bromo-4-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrN2O2/c9-8-5-7(11(12)13)2-1-6(8)3-4-10/h1-2,5H,3H2
InChI Key:
SLKNLFRUKRDJJG-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties