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1140-37-0 | Ethanone, 1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-
CAS No: 1140-37-0 Catalog No: AG000A9T MDL No:
Product Description
Catalog Number:
AG000A9T
Chemical Name:
Ethanone, 1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-
CAS Number:
1140-37-0
Molecular Formula:
C12H11ClN2O
Molecular Weight:
234.6815
IUPAC Name:
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethanone
InChI:
InChI=1S/C12H11ClN2O/c1-8-11(9(2)16)12(13)15(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
QKWRIGZJEGWRJK-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)nn(c1Cl)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.683g/mol
Monoisotopic Mass:
234.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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