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14575-29-2 | 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-1-(2,4,5-trichlorophenyl)-
CAS No: 14575-29-2 Catalog No: AG001DE6 MDL No:
Product Description
Catalog Number:
AG001DE6
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-1-(2,4,5-trichlorophenyl)-
CAS Number:
14575-29-2
Molecular Formula:
C10H7Cl3N2O
Molecular Weight:
277.5344
IUPAC Name:
3-methyl-2-(2,4,5-trichlorophenyl)-1H-pyrazol-5-one
InChI:
InChI=1S/C10H7Cl3N2O/c1-5-2-10(16)14-15(5)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,16)
InChI Key:
BHBLWPKVIWLRMC-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1n1[nH]c(=O)cc1C)Cl
Properties
Complexity:
334
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:
1
Isotope Atom Count:
0
Molecular Weight:
277.529g/mol
Monoisotopic Mass:
275.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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