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Home > Nitro Compounds > 89342-72-3
89342-72-3 | Benzoic acid, 3-[[(2,4-dinitrophenyl)hydrazono]methyl]-4-hydroxy-
CAS No: 89342-72-3 Catalog No: AG003Y55 MDL No:
Product Description
Catalog Number:
AG003Y55
Chemical Name:
Benzoic acid, 3-[[(2,4-dinitrophenyl)hydrazono]methyl]-4-hydroxy-
CAS Number:
89342-72-3
Molecular Formula:
C14H10N4O7
Molecular Weight:
346.2518
IUPAC Name:
3-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
InChI:
InChI=1S/C14H10N4O7/c19-13-4-1-8(14(20)21)5-9(13)7-15-16-11-3-2-10(17(22)23)6-12(11)18(24)25/h1-7,16,19H,(H,20,21)
InChI Key:
ZWXDLBWOKJUFRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])O
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.055g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.255g/mol
Monoisotopic Mass:
346.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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