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13160-66-2 | Benzenamine, 3-nitro-N-(3-pyridinylmethylene)-
CAS No: 13160-66-2 Catalog No: AG000ZHL MDL No:
Product Description
Catalog Number:
AG000ZHL
Chemical Name:
Benzenamine, 3-nitro-N-(3-pyridinylmethylene)-
CAS Number:
13160-66-2
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
N-(3-nitrophenyl)-1-pyridin-3-ylmethanimine
InChI:
InChI=1S/C12H9N3O2/c16-15(17)12-5-1-4-11(7-12)14-9-10-3-2-6-13-8-10/h1-9H
InChI Key:
CVZOAZJGHQBGDQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N=Cc1cccnc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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