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Home > Nitro Compounds > 88460-75-7
88460-75-7 | Benzoic acid, 2-[5-[[(3,4-dinitrophenyl)hydrazono]methyl]-2-furanyl]-
CAS No: 88460-75-7 Catalog No: AG004CNO MDL No:
Product Description
Catalog Number:
AG004CNO
Chemical Name:
Benzoic acid, 2-[5-[[(3,4-dinitrophenyl)hydrazono]methyl]-2-furanyl]-
CAS Number:
88460-75-7
Molecular Formula:
C18H12N4O7
Molecular Weight:
396.3105
IUPAC Name:
2-[5-[[(3,4-dinitrophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
InChI:
InChI=1S/C18H12N4O7/c23-18(24)14-4-2-1-3-13(14)17-8-6-12(29-17)10-19-20-11-5-7-15(21(25)26)16(9-11)22(27)28/h1-10,20H,(H,23,24)
InChI Key:
OEECSDBZFUWNII-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(NN=Cc2ccc(o2)c2ccccc2C(=O)O)ccc1[N+](=O)[O-]
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.071g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.315g/mol
Monoisotopic Mass:
396.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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