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Home > Nitro Compounds > 159599-74-3
159599-74-3 | Benzoic acid, 2-[3-hydroxy-3-(4-nitrophenyl)-1-triazen-1-yl]-
CAS No: 159599-74-3 Catalog No: AG001R6X MDL No:
Product Description
Catalog Number:
AG001R6X
Chemical Name:
Benzoic acid, 2-[3-hydroxy-3-(4-nitrophenyl)-1-triazen-1-yl]-
CAS Number:
159599-74-3
Molecular Formula:
C13H10N4O5
Molecular Weight:
302.2423
IUPAC Name:
[(2-carboxyphenyl)hydrazinylidene]-(4-nitrophenyl)-oxidoazanium
InChI:
InChI=1S/C13H10N4O5/c18-13(19)11-3-1-2-4-12(11)14-15-16(20)9-5-7-10(8-6-9)17(21)22/h1-8,14H,(H,18,19)
InChI Key:
QVFXRTPPDKOIOY-UHFFFAOYSA-N
SMILES:
ON(c1ccc(cc1)[N+](=O)[O-])N=Nc1ccccc1C(=O)O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.246g/mol
Monoisotopic Mass:
302.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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