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114998-59-3 | Ethanone, 1-(1-phenyl-1H-pyrazol-5-yl)-
CAS No: 114998-59-3 Catalog No: AG000FJM MDL No:MFCD20486397
Product Description
Catalog Number:
AG000FJM
Chemical Name:
Ethanone, 1-(1-phenyl-1H-pyrazol-5-yl)-
CAS Number:
114998-59-3
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD20486397
IUPAC Name:
1-(2-phenylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C11H10N2O/c1-9(14)11-7-8-12-13(11)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
VOEPLNUVMOGCDS-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccnn1c1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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