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14580-22-4 | 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
CAS No: 14580-22-4 Catalog No: AG001DF9 MDL No:MFCD00043809
Product Description
Catalog Number:
AG001DF9
Chemical Name:
3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
CAS Number:
14580-22-4
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD00043809
IUPAC Name:
2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChI Key:
CWESERWNUIUBJU-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)c1ccccc1Cl
EC Number:
238-623-7
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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