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Home > Nitro Compounds > 82859-78-7
82859-78-7 | 3-nitro-N-[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide
CAS No: 82859-78-7 Catalog No: AG0055LL MDL No:
Product Description
Catalog Number:
AG0055LL
Chemical Name:
3-nitro-N-[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide
CAS Number:
82859-78-7
Molecular Formula:
C14H11N3O4
Molecular Weight:
285.2548
IUPAC Name:
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
InChI:
InChI=1S/C14H11N3O4/c18-13-7-2-1-4-11(13)9-15-16-14(19)10-5-3-6-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9+
InChI Key:
RMHSVTCXLRMIRJ-OQLLNIDSSA-N
SMILES:
NN(C(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/C=CC=CC1=O
NSC Number:
58539
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
285.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.259g/mol
Monoisotopic Mass:
285.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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