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1229625-50-6 | 3-(2-Methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-3-oxo-propionic acid methyl ester
CAS No: 1229625-50-6 Catalog No: AG01F3SX MDL No:
Product Description
Catalog Number:
AG01F3SX
Chemical Name:
3-(2-Methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-3-oxo-propionic acid methyl ester
CAS Number:
1229625-50-6
Molecular Formula:
C9H9F3N2O3
Molecular Weight:
250.1746
IUPAC Name:
methyl 3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-oxopropanoate
InChI:
InChI=1S/C9H9F3N2O3/c1-14-5(6(15)4-8(16)17-2)3-7(13-14)9(10,11)12/h3H,4H2,1-2H3
InChI Key:
UOLRTZSSBYHGIG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cc(nn1C)C(F)(F)F
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.177g/mol
Monoisotopic Mass:
250.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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