Home Other Building Blocks 3-(2,6-DIFLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

3-(2,6-DIFLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

CAS No.:
668969-40-2
Catalog Number:
AG01DLVN
Molecular Formula:
C13H12F2N2O2
Molecular Weight:
266.2434
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Product Description
Catalog Number:
AG01DLVN
Chemical Name:
3-(2,6-DIFLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
668969-40-2
Molecular Formula:
C13H12F2N2O2
Molecular Weight:
266.2434
MDL Number:
MFCD17193503
IUPAC Name:
ethyl 5-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H12F2N2O2/c1-3-19-13(18)11-7-10(16-17(11)2)12-8(14)5-4-6-9(12)15/h4-7H,3H2,1-2H3
InChI Key:
KXRZTOGSWMMGRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C)c1c(F)cccc1F
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.087g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.248g/mol
Monoisotopic Mass:
266.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties