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121716-34-5 | 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(2-chlorophenyl)-, ethyl ester
CAS No: 121716-34-5 Catalog No: AG0015MS MDL No:MFCD17168471
Product Description
Catalog Number:
AG0015MS
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(2-chlorophenyl)-, ethyl ester
CAS Number:
121716-34-5
Molecular Formula:
C12H10Cl2N2O2
Molecular Weight:
285.1260
MDL Number:
MFCD17168471
IUPAC Name:
ethyl 5-chloro-1-(2-chlorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)8-7-15-16(11(8)14)10-6-4-3-5-9(10)13/h3-7H,2H2,1H3
InChI Key:
FCFJSYWDMQUUKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Cl)c1ccccc1Cl
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.124g/mol
Monoisotopic Mass:
284.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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