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1150164-34-3 | 1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-2-pyridinyl)-5-cyclopropyl-, methyl ester
CAS No: 1150164-34-3 Catalog No: AG000FNP MDL No:MFCD11855909
Product Description
Catalog Number:
AG000FNP
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-2-pyridinyl)-5-cyclopropyl-, methyl ester
CAS Number:
1150164-34-3
Molecular Formula:
C13H12ClN3O2
Molecular Weight:
277.7063
MDL Number:
MFCD11855909
IUPAC Name:
methyl 1-(6-chloropyridin-2-yl)-5-cyclopropylpyrazole-4-carboxylate
InChI:
InChI=1S/C13H12ClN3O2/c1-19-13(18)9-7-15-17(12(9)8-5-6-8)11-4-2-3-10(14)16-11/h2-4,7-8H,5-6H2,1H3
InChI Key:
NJRVEUOGPKCDEZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1C1CC1)c1cccc(n1)Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.708g/mol
Monoisotopic Mass:
277.062g/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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