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Home > Nitro Compounds > 113875-02-8
113875-02-8 | Benzoic acid, 3-nitro-, 2-(2-furanylmethylene)hydrazide
CAS No: 113875-02-8 Catalog No: AG0009YY MDL No:
Product Description
Catalog Number:
AG0009YY
Chemical Name:
Benzoic acid, 3-nitro-, 2-(2-furanylmethylene)hydrazide
CAS Number:
113875-02-8
Molecular Formula:
C12H9N3O4
Molecular Weight:
259.2176
IUPAC Name:
N-(furan-2-ylmethylideneamino)-3-nitrobenzamide
InChI:
InChI=1S/C12H9N3O4/c16-12(14-13-8-11-5-2-6-19-11)9-3-1-4-10(7-9)15(17)18/h1-8H,(H,14,16)
InChI Key:
SKMJYCQEFOXGPG-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])NN=Cc1ccco1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.221g/mol
Monoisotopic Mass:
259.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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