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Home > Nitro Compounds > 1778-65-0
1778-65-0 | Phenol, 2,6-dimethyl-4-[2-(4-nitrophenyl)diazenyl]-
CAS No: 1778-65-0 Catalog No: AG0025KJ MDL No:
Product Description
Catalog Number:
AG0025KJ
Chemical Name:
Phenol, 2,6-dimethyl-4-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
1778-65-0
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
IUPAC Name:
2,6-dimethyl-4-[(4-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C14H13N3O3/c1-9-7-12(8-10(2)14(9)18)16-15-11-3-5-13(6-4-11)17(19)20/h3-8,18H,1-2H3
InChI Key:
AFGJXRYLSJDIBV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N=Nc1cc(C)c(c(c1)C)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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