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Home > Nitro Compounds > 89784-88-3
89784-88-3 | 1,3-Benzenediol, 4-[(2-hydroxy-5-nitrophenyl)azo]-2-(phenylazo)-
CAS No: 89784-88-3 Catalog No: AG00405I MDL No:
Product Description
Catalog Number:
AG00405I
Chemical Name:
1,3-Benzenediol, 4-[(2-hydroxy-5-nitrophenyl)azo]-2-(phenylazo)-
CAS Number:
89784-88-3
Molecular Formula:
C18H13N5O5
Molecular Weight:
379.3263
IUPAC Name:
6-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-2-(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione
InChI:
InChI=1S/C18H13N5O5/c24-15-8-6-12(23(27)28)10-14(15)21-20-13-7-9-16(25)17(18(13)26)22-19-11-4-2-1-3-5-11/h1-10,19,21,24H
InChI Key:
XWTRZVVQCZNTBR-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1N=Nc1ccccc1)O)N=Nc1cc(ccc1O)[N+](=O)[O-]
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.092g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
379.332g/mol
Monoisotopic Mass:
379.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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