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28058-44-8 | 1,3-Benzodioxole-5-carboxaldehyde,2-(5-nitro-2-pyridinyl)hydrazone
CAS No: 28058-44-8 Catalog No: AG007LLM MDL No:
Product Description
Catalog Number:
AG007LLM
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde,2-(5-nitro-2-pyridinyl)hydrazone
CAS Number:
28058-44-8
Molecular Formula:
C13H10N4O4
Molecular Weight:
286.2429
IUPAC Name:
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-nitropyridin-2-amine
InChI:
InChI=1S/C13H10N4O4/c18-17(19)10-2-4-13(14-7-10)16-15-6-9-1-3-11-12(5-9)21-8-20-11/h1-7H,8H2,(H,14,16)/b15-6+
InChI Key:
VPFYTRFENPZHFQ-GIDUJCDVSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)NN=Cc1ccc2c(c1)OCO2
NSC Number:
43392
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
286.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.247g/mol
Monoisotopic Mass:
286.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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