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Home > Nitro Compounds > 89648-48-6
89648-48-6 | Phenol, 2-[(2-hydroxy-5-methoxy-4-nitrophenyl)azo]-3,4,6-trimethyl-
CAS No: 89648-48-6 Catalog No: AG003VH5 MDL No:
Product Description
Catalog Number:
AG003VH5
Chemical Name:
Phenol, 2-[(2-hydroxy-5-methoxy-4-nitrophenyl)azo]-3,4,6-trimethyl-
CAS Number:
89648-48-6
Molecular Formula:
C16H17N3O5
Molecular Weight:
331.3233
IUPAC Name:
2-[(2-hydroxy-5-methoxy-4-nitrophenyl)diazenyl]-3,4,6-trimethylphenol
InChI:
InChI=1S/C16H17N3O5/c1-8-5-9(2)16(21)15(10(8)3)18-17-11-6-14(24-4)12(19(22)23)7-13(11)20/h5-7,20-21H,1-4H3
InChI Key:
GXGVSKINQJWLSP-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2c(C)c(C)cc(c2O)C)c(cc1[N+](=O)[O-])O
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.328g/mol
Monoisotopic Mass:
331.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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