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573675-25-9 | 5-Bromo-3-nitropicolinonitrile
CAS No: 573675-25-9 Catalog No: AG00371B MDL No:MFCD06657551
Product Description
Catalog Number:
AG00371B
Chemical Name:
5-Bromo-3-nitropicolinonitrile
CAS Number:
573675-25-9
Molecular Formula:
C6H2BrN3O2
Molecular Weight:
228.0030
MDL Number:
MFCD06657551
IUPAC Name:
5-bromo-3-nitropyridine-2-carbonitrile
InChI:
InChI=1S/C6H2BrN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H
InChI Key:
OBVYONPVHIOJJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)cnc1C#N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.933g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.005g/mol
Monoisotopic Mass:
226.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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