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Home > Nitro Compounds > 89648-47-5
89648-47-5 | Phenol, 2-[(2-hydroxy-5-methyl-4-nitrophenyl)azo]-3,4,6-trimethyl-
CAS No: 89648-47-5 Catalog No: AG003VH6 MDL No:
Product Description
Catalog Number:
AG003VH6
Chemical Name:
Phenol, 2-[(2-hydroxy-5-methyl-4-nitrophenyl)azo]-3,4,6-trimethyl-
CAS Number:
89648-47-5
Molecular Formula:
C16H17N3O4
Molecular Weight:
315.3239
IUPAC Name:
2-[(2-hydroxy-5-methyl-4-nitrophenyl)diazenyl]-3,4,6-trimethylphenol
InChI:
InChI=1S/C16H17N3O4/c1-8-5-10(3)16(21)15(11(8)4)18-17-12-6-9(2)13(19(22)23)7-14(12)20/h5-7,20-21H,1-4H3
InChI Key:
IKZFFBYGNZVQMF-UHFFFAOYSA-N
SMILES:
Oc1cc([N+](=O)[O-])c(cc1N=Nc1c(C)c(C)cc(c1O)C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.329g/mol
Monoisotopic Mass:
315.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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