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21031-25-4 | Ethanone, 1-(4-phenyl-1H-pyrazol-3-yl)-
CAS No: 21031-25-4 Catalog No: AG002KPL MDL No:MFCD27923766
Product Description
Catalog Number:
AG002KPL
Chemical Name:
Ethanone, 1-(4-phenyl-1H-pyrazol-3-yl)-
CAS Number:
21031-25-4
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD27923766
IUPAC Name:
1-(4-phenyl-1H-pyrazol-5-yl)ethanone
InChI:
InChI=1S/C11H10N2O/c1-8(14)11-10(7-12-13-11)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)
InChI Key:
FEEWCLJVRHUFJV-UHFFFAOYSA-N
SMILES:
CC(=O)c1n[nH]cc1c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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