Home Halogens 2-(bromomethyl)-3-nitrobenzonitrile

2-(bromomethyl)-3-nitrobenzonitrile

CAS No.:
93213-75-3
Catalog Number:
AG01ALAJ
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
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Product Description
Catalog Number:
AG01ALAJ
Chemical Name:
2-(bromomethyl)-3-nitrobenzonitrile
CAS Number:
93213-75-3
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD18392142
IUPAC Name:
2-(bromomethyl)-3-nitrobenzonitrile
InChI:
InChI=1S/C8H5BrN2O2/c9-4-7-6(5-10)2-1-3-8(7)11(12)13/h1-3H,4H2
InChI Key:
RVNUJWCXNNNKQW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1CBr)[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  
Properties