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1150164-31-0 | 1H-Pyrazole-4-carboxylic acid, 1-(3-chloro-2-pyridinyl)-5-methyl-, ethyl ester
CAS No: 1150164-31-0 Catalog No: AG000FNQ MDL No:MFCD11855908
Product Description
Catalog Number:
AG000FNQ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(3-chloro-2-pyridinyl)-5-methyl-, ethyl ester
CAS Number:
1150164-31-0
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
MDL Number:
MFCD11855908
IUPAC Name:
ethyl 1-(3-chloropyridin-2-yl)-5-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C12H12ClN3O2/c1-3-18-12(17)9-7-15-16(8(9)2)11-10(13)5-4-6-14-11/h4-7H,3H2,1-2H3
InChI Key:
DRAKSNGEBKYYIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C)c1ncccc1Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.697g/mol
Monoisotopic Mass:
265.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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