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79603-03-5 | 4-Bromo-2-nitrobenzonitrile
CAS No: 79603-03-5 Catalog No: AG0051A2 MDL No:MFCD00087225
Product Description
Catalog Number:
AG0051A2
Chemical Name:
4-Bromo-2-nitrobenzonitrile
CAS Number:
79603-03-5
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
MDL Number:
MFCD00087225
IUPAC Name:
4-bromo-2-nitrobenzonitrile
InChI:
InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
InChI Key:
IOBYLOUUUJPZEO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1[N+](=O)[O-])Br
NSC Number:
158356
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:
1.7
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