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128537-24-6 | 1H-Pyrazole-5-carboxylic acid, 1-(difluoromethyl)-3-methyl-, ethyl ester
CAS No: 128537-24-6 Catalog No: AG000Y67 MDL No:MFCD05861647
Product Description
Catalog Number:
AG000Y67
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(difluoromethyl)-3-methyl-, ethyl ester
CAS Number:
128537-24-6
Molecular Formula:
C8H10F2N2O2
Molecular Weight:
204.1740
MDL Number:
MFCD05861647
IUPAC Name:
ethyl 2-(difluoromethyl)-5-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H10F2N2O2/c1-3-14-7(13)6-4-5(2)11-12(6)8(9)10/h4,8H,3H2,1-2H3
InChI Key:
XMLIACPJFCVSRM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C(F)F)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.177g/mol
Monoisotopic Mass:
204.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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