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2786-80-3 | Phenol, 2,6-dimethyl-4-(2-phenyldiazenyl)-
CAS No: 2786-80-3 Catalog No: AG002UYP MDL No:
Product Description
Catalog Number:
AG002UYP
Chemical Name:
Phenol, 2,6-dimethyl-4-(2-phenyldiazenyl)-
CAS Number:
2786-80-3
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
2,6-dimethyl-4-phenyldiazenylphenol
InChI:
InChI=1S/C14H14N2O/c1-10-8-13(9-11(2)14(10)17)16-15-12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChI Key:
ZWLHBJXWUXPCHO-UHFFFAOYSA-N
SMILES:
Cc1cc(N=Nc2ccccc2)cc(c1O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| 2,6-Dimethyl-4-(phenyldiazenyl)phenol. | Acta crystallographica. Section C, Crystal structure communications 20040701 |
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