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1245258-69-8 | 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(4-methylphenyl)-, ethyl ester
CAS No: 1245258-69-8 Catalog No: AG000M5B MDL No:MFCD17206157
Product Description
Catalog Number:
AG000M5B
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(4-methylphenyl)-, ethyl ester
CAS Number:
1245258-69-8
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
MDL Number:
MFCD17206157
IUPAC Name:
ethyl 5-chloro-1-(4-methylphenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C13H13ClN2O2/c1-3-18-13(17)11-8-15-16(12(11)14)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChI Key:
PVAKLECWZNYJOC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Cl)c1ccc(cc1)C
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:
3.4
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