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28058-17-5 | Benzaldehyde, 3-nitro-,2-(5-nitro-2-pyridinyl)hydrazone
CAS No: 28058-17-5 Catalog No: AG007LLN MDL No:
Product Description
Catalog Number:
AG007LLN
Chemical Name:
Benzaldehyde, 3-nitro-,2-(5-nitro-2-pyridinyl)hydrazone
CAS Number:
28058-17-5
Molecular Formula:
C12H9N5O4
Molecular Weight:
287.2310
IUPAC Name:
5-nitro-N-[(3-nitrophenyl)methylideneamino]pyridin-2-amine
InChI:
InChI=1S/C12H9N5O4/c18-16(19)10-3-1-2-9(6-10)7-14-15-12-5-4-11(8-13-12)17(20)21/h1-8H,(H,13,15)
InChI Key:
KBOUAISGKKDPPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)NN=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.235g/mol
Monoisotopic Mass:
287.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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