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143997-21-1 | Phenol, 4-[2-(4-chloro-2-nitrophenyl)diazenyl]-2,6-bis(1,1-dimethylethyl)-
CAS No: 143997-21-1 Catalog No: AG001IQG MDL No:
Product Description
Catalog Number:
AG001IQG
Chemical Name:
Phenol, 4-[2-(4-chloro-2-nitrophenyl)diazenyl]-2,6-bis(1,1-dimethylethyl)-
CAS Number:
143997-21-1
Molecular Formula:
C20H24ClN3O3
Molecular Weight:
389.8759
IUPAC Name:
2,6-ditert-butyl-4-[(4-chloro-2-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C20H24ClN3O3/c1-19(2,3)14-10-13(11-15(18(14)25)20(4,5)6)22-23-16-8-7-12(21)9-17(16)24(26)27/h7-11,25H,1-6H3
InChI Key:
KEDKPQYVIOFGBG-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])N=Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.88g/mol
Monoisotopic Mass:
389.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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