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20012-56-0 | Phenol, 2-(1,1-dimethylethyl)-6-methyl-4-[2-(4-nitrophenyl)diazenyl]-
CAS No: 20012-56-0 Catalog No: AG002CK6 MDL No:
Product Description
Catalog Number:
AG002CK6
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-6-methyl-4-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
20012-56-0
Molecular Formula:
C17H19N3O3
Molecular Weight:
313.3511
IUPAC Name:
2-tert-butyl-6-methyl-4-[(4-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C17H19N3O3/c1-11-9-13(10-15(16(11)21)17(2,3)4)19-18-12-5-7-14(8-6-12)20(22)23/h5-10,21H,1-4H3
InChI Key:
HLMXSGKXEHXXPB-UHFFFAOYSA-N
SMILES:
Cc1cc(N=Nc2ccc(cc2)[N+](=O)[O-])cc(c1O)C(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.357g/mol
Monoisotopic Mass:
313.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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