Home Nitriles 2-broMo-6-nitrobenzonitrile

2-broMo-6-nitrobenzonitrile

CAS No.:
79603-02-4
Catalog Number:
AG00GMY7
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
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Product Description
Catalog Number:
AG00GMY7
Chemical Name:
2-broMo-6-nitrobenzonitrile
CAS Number:
79603-02-4
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
MDL Number:
MFCD18392275
IUPAC Name:
2-bromo-6-nitrobenzonitrile
InChI:
InChI=1S/C7H3BrN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H
InChI Key:
QAWCUFOFDZAVNA-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)cccc1[N+](=O)[O-]
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.938g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.017g/mol
Monoisotopic Mass:
225.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties