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1443341-09-0 | Methyl 3,4,5-trifluorobenzoylformate
CAS No: 1443341-09-0 Catalog No: AG01FDLG MDL No:
Product Description
Catalog Number:
AG01FDLG
Chemical Name:
Methyl 3,4,5-trifluorobenzoylformate
CAS Number:
1443341-09-0
Molecular Formula:
C9H5F3O3
Molecular Weight:
218.1294
IUPAC Name:
methyl 2-oxo-2-(3,4,5-trifluorophenyl)acetate
InChI:
InChI=1S/C9H5F3O3/c1-15-9(14)8(13)4-2-5(10)7(12)6(11)3-4/h2-3H,1H3
InChI Key:
AIARGPDWSYCDQD-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.131g/mol
Monoisotopic Mass:
218.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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