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288401-53-6 | Phenol, 4,5-dimethyl-2-(1-phenyl-1H-pyrazol-5-yl)-
CAS No: 288401-53-6 Catalog No: AG002WRZ MDL No:
Product Description
Catalog Number:
AG002WRZ
Chemical Name:
Phenol, 4,5-dimethyl-2-(1-phenyl-1H-pyrazol-5-yl)-
CAS Number:
288401-53-6
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
4,5-dimethyl-2-(2-phenylpyrazol-3-yl)phenol
InChI:
InChI=1S/C17H16N2O/c1-12-10-15(17(20)11-13(12)2)16-8-9-18-19(16)14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChI Key:
QFKLUNREAGLVLJ-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(cc1c1ccnn1c1ccccc1)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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