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126067-40-1 | 1H-Pyrazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-, ethyl ester
CAS No: 126067-40-1 Catalog No: AG000R1E MDL No:
Product Description
Catalog Number:
AG000R1E
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-, ethyl ester
CAS Number:
126067-40-1
Molecular Formula:
C13H12Cl2N2O2
Molecular Weight:
299.1526
IUPAC Name:
ethyl 1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H12Cl2N2O2/c1-3-19-13(18)11-6-8(2)17(16-11)12-5-4-9(14)7-10(12)15/h4-7H,3H2,1-2H3
InChI Key:
IVEMKPKJNOWXSK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C)c1ccc(cc1Cl)Cl
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.151g/mol
Monoisotopic Mass:
298.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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