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1150164-42-3 | 1H-Pyrazole-4-carboxylic acid, 1-(5-chloro-3-fluoro-2-pyridinyl)-5-cyclopropyl-, methyl ester
CAS No: 1150164-42-3 Catalog No: AG000FNM MDL No:MFCD12026017
Product Description
Catalog Number:
AG000FNM
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(5-chloro-3-fluoro-2-pyridinyl)-5-cyclopropyl-, methyl ester
CAS Number:
1150164-42-3
Molecular Formula:
C13H11ClFN3O2
Molecular Weight:
295.6967
MDL Number:
MFCD12026017
IUPAC Name:
methyl 1-(5-chloro-3-fluoropyridin-2-yl)-5-cyclopropylpyrazole-4-carboxylate
InChI:
InChI=1S/C13H11ClFN3O2/c1-20-13(19)9-6-17-18(11(9)7-2-3-7)12-10(15)4-8(14)5-16-12/h4-7H,2-3H2,1H3
InChI Key:
DTJAOOKEVRXVBV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1C1CC1)c1ncc(cc1F)Cl
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.698g/mol
Monoisotopic Mass:
295.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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