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14657-25-1 | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2,4,6-trichlorophenyl)-
CAS No: 14657-25-1 Catalog No: AG001E5Z MDL No:MFCD00100701
Product Description
Catalog Number:
AG001E5Z
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2,4,6-trichlorophenyl)-
CAS Number:
14657-25-1
Molecular Formula:
C10H7Cl3N2O
Molecular Weight:
277.5344
MDL Number:
MFCD00100701
IUPAC Name:
5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C10H7Cl3N2O/c1-5-2-9(16)15(14-5)10-7(12)3-6(11)4-8(10)13/h3-4H,2H2,1H3
InChI Key:
MRQNFRMHWBTRGX-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1c(Cl)cc(cc1Cl)Cl)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.962g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.529g/mol
Monoisotopic Mass:
275.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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