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89176-46-5 | 3H-Pyrazol-3-one, 4-(2,4-dichlorobenzoyl)-1,2-dihydro-2-methyl-
CAS No: 89176-46-5 Catalog No: AG003WEA MDL No:
Product Description
Catalog Number:
AG003WEA
Chemical Name:
3H-Pyrazol-3-one, 4-(2,4-dichlorobenzoyl)-1,2-dihydro-2-methyl-
CAS Number:
89176-46-5
Molecular Formula:
C11H8Cl2N2O2
Molecular Weight:
271.0994
IUPAC Name:
4-(2,4-dichlorobenzoyl)-2-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C11H8Cl2N2O2/c1-15-11(17)8(5-14-15)10(16)7-3-2-6(12)4-9(7)13/h2-5,14H,1H3
InChI Key:
MVYFJDRUGGXCCK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(=O)c1c[nH]n(c1=O)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.097g/mol
Monoisotopic Mass:
269.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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