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1150164-74-1 | 1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-2-pyridinyl)-5-methyl-, ethyl ester
CAS No: 1150164-74-1 Catalog No: AG000FOK MDL No:MFCD11855924
Product Description
Catalog Number:
AG000FOK
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-2-pyridinyl)-5-methyl-, ethyl ester
CAS Number:
1150164-74-1
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
MDL Number:
MFCD11855924
IUPAC Name:
ethyl 1-(6-chloropyridin-2-yl)-5-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C12H12ClN3O2/c1-3-18-12(17)9-7-14-16(8(9)2)11-6-4-5-10(13)15-11/h4-7H,3H2,1-2H3
InChI Key:
WYPKZNBFIJVYDA-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1c1cccc(n1)Cl)C(=O)OCC
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:
2.7
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