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113870-96-5 | 1H-Pyrazol-5-ol, 4-(2,4-dichlorophenyl)-1,3-dimethyl-
CAS No: 113870-96-5 Catalog No: AG0009Z6 MDL No:
Product Description
Catalog Number:
AG0009Z6
Chemical Name:
1H-Pyrazol-5-ol, 4-(2,4-dichlorophenyl)-1,3-dimethyl-
CAS Number:
113870-96-5
Molecular Formula:
C11H10Cl2N2O
Molecular Weight:
257.1159
IUPAC Name:
4-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrazol-3-one
InChI:
InChI=1S/C11H10Cl2N2O/c1-6-10(11(16)15(2)14-6)8-4-3-7(12)5-9(8)13/h3-5,14H,1-2H3
InChI Key:
OVDMGVVYYJSBQL-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)c1c(C)nn(c1O)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.114g/mol
Monoisotopic Mass:
256.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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