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Home > Nitro Compounds > 88460-74-6
88460-74-6 | Benzoic acid, 2-[5-[[(4-nitrophenyl)hydrazono]methyl]-2-furanyl]-
CAS No: 88460-74-6 Catalog No: AG004F9G MDL No:
Product Description
Catalog Number:
AG004F9G
Chemical Name:
Benzoic acid, 2-[5-[[(4-nitrophenyl)hydrazono]methyl]-2-furanyl]-
CAS Number:
88460-74-6
Molecular Formula:
C18H13N3O5
Molecular Weight:
351.3129
IUPAC Name:
2-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
InChI:
InChI=1S/C18H13N3O5/c22-18(23)16-4-2-1-3-15(16)17-10-9-14(26-17)11-19-20-12-5-7-13(8-6-12)21(24)25/h1-11,20H,(H,22,23)
InChI Key:
LIGYRXAZAYRLMG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NN=Cc1ccc(o1)c1ccccc1C(=O)O
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.086g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.318g/mol
Monoisotopic Mass:
351.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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