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126067-52-5 | 1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-, ethyl ester
CAS No: 126067-52-5 Catalog No: AG000R1D MDL No:MFCD04110662
Product Description
Catalog Number:
AG000R1D
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-, ethyl ester
CAS Number:
126067-52-5
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
MDL Number:
MFCD04110662
IUPAC Name:
ethyl 1-(4-chlorophenyl)-5-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H13ClN2O2/c1-3-18-13(17)12-8-9(2)16(15-12)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3
InChI Key:
HSKGILULYYHRBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C)c1ccc(cc1)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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