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13124-17-9 | 3H-Pyrazol-3-one, 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-
CAS No: 13124-17-9 Catalog No: AG000VSI MDL No:MFCD00849838
Product Description
Catalog Number:
AG000VSI
Chemical Name:
3H-Pyrazol-3-one, 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-
CAS Number:
13124-17-9
Molecular Formula:
C10H8Cl2N2O
Molecular Weight:
243.0893
MDL Number:
MFCD00849838
IUPAC Name:
2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)7-2-3-8(11)9(12)5-7/h2-3,5H,4H2,1H3
InChI Key:
NPLZMVKJNPOHRL-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)c1ccc(c(c1)Cl)Cl
EC Number:
236-055-4
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.087g/mol
Monoisotopic Mass:
242.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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