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Home > Nitro Compounds > 89648-49-7
89648-49-7 | Phenol, 2-[(2-hydroxy-4,5-dinitrophenyl)azo]-3,4,6-trimethyl-
CAS No: 89648-49-7 Catalog No: AG003VH4 MDL No:
Product Description
Catalog Number:
AG003VH4
Chemical Name:
Phenol, 2-[(2-hydroxy-4,5-dinitrophenyl)azo]-3,4,6-trimethyl-
CAS Number:
89648-49-7
Molecular Formula:
C15H14N4O6
Molecular Weight:
346.2949
IUPAC Name:
2-[(2-hydroxy-4,5-dinitrophenyl)diazenyl]-3,4,6-trimethylphenol
InChI:
InChI=1S/C15H14N4O6/c1-7-4-8(2)15(21)14(9(7)3)17-16-10-5-11(18(22)23)12(19(24)25)6-13(10)20/h4-6,20-21H,1-3H3
InChI Key:
SIYCVQJUXPHCRJ-UHFFFAOYSA-N
SMILES:
Oc1cc([N+](=O)[O-])c(cc1N=Nc1c(C)c(C)cc(c1O)C)[N+](=O)[O-]
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.299g/mol
Monoisotopic Mass:
346.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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