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1150164-40-1 | 1H-Pyrazole-4-carboxylic acid, 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-, ethyl ester
CAS No: 1150164-40-1 Catalog No: AG000FNN MDL No:MFCD11855911
Product Description
Catalog Number:
AG000FNN
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-, ethyl ester
CAS Number:
1150164-40-1
Molecular Formula:
C12H11ClFN3O2
Molecular Weight:
283.6860
MDL Number:
MFCD11855911
IUPAC Name:
ethyl 1-(5-chloro-3-fluoropyridin-2-yl)-5-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C12H11ClFN3O2/c1-3-19-12(18)9-6-16-17(7(9)2)11-10(14)4-8(13)5-15-11/h4-6H,3H2,1-2H3
InChI Key:
DMRULTFEXODORU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C)c1ncc(cc1F)Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.687g/mol
Monoisotopic Mass:
283.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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