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1015846-07-7 | Ethanone, 1-[1-(2-methylphenyl)-1H-pyrazol-4-yl]-
CAS No: 1015846-07-7 Catalog No: AG0004W1 MDL No:MFCD09055191
Product Description
Catalog Number:
AG0004W1
Chemical Name:
Ethanone, 1-[1-(2-methylphenyl)-1H-pyrazol-4-yl]-
CAS Number:
1015846-07-7
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD09055191
IUPAC Name:
1-[1-(2-methylphenyl)pyrazol-4-yl]ethanone
InChI:
InChI=1S/C12H12N2O/c1-9-5-3-4-6-12(9)14-8-11(7-13-14)10(2)15/h3-8H,1-2H3
InChI Key:
HGJGSNIKFGKXQM-UHFFFAOYSA-N
SMILES:
Cc1ccccc1n1ncc(c1)C(=O)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/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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