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1923194-73-3 | 1H-Pyrazole-5-propanoic acid, 3-(difluoromethyl)-1-methyl-β-oxo-, ethyl ester
CAS No: 1923194-73-3 Catalog No: AG002FTS MDL No:
Product Description
Catalog Number:
AG002FTS
Chemical Name:
1H-Pyrazole-5-propanoic acid, 3-(difluoromethyl)-1-methyl-β-oxo-, ethyl ester
CAS Number:
1923194-73-3
Molecular Formula:
C10H12F2N2O3
Molecular Weight:
246.2107
IUPAC Name:
ethyl 3-[5-(difluoromethyl)-2-methylpyrazol-3-yl]-3-oxopropanoate
InChI:
InChI=1S/C10H12F2N2O3/c1-3-17-9(16)5-8(15)7-4-6(10(11)12)13-14(7)2/h4,10H,3,5H2,1-2H3
InChI Key:
FLBNBRJNFPZMOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cc(nn1C)C(F)F
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.214g/mol
Monoisotopic Mass:
246.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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