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89648-46-4 | Phenol, 2-[(5-chloro-2-hydroxy-4-nitrophenyl)azo]-3,4,6-trimethyl-
CAS No: 89648-46-4 Catalog No: AG003VH7 MDL No:
Product Description
Catalog Number:
AG003VH7
Chemical Name:
Phenol, 2-[(5-chloro-2-hydroxy-4-nitrophenyl)azo]-3,4,6-trimethyl-
CAS Number:
89648-46-4
Molecular Formula:
C15H14ClN3O4
Molecular Weight:
335.7424
IUPAC Name:
2-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-3,4,6-trimethylphenol
InChI:
InChI=1S/C15H14ClN3O4/c1-7-4-8(2)15(21)14(9(7)3)18-17-11-5-10(16)12(19(22)23)6-13(11)20/h4-6,20-21H,1-3H3
InChI Key:
HDBCOXASFWNKHE-UHFFFAOYSA-N
SMILES:
Oc1cc([N+](=O)[O-])c(cc1N=Nc1c(C)c(C)cc(c1O)C)Cl
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.744g/mol
Monoisotopic Mass:
335.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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