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Home > Fluorides > 138485-29-7
138485-29-7 | Propanedioic acid, 2-[3-(trifluoromethyl)phenyl]-, 1,3-dimethyl ester
CAS No: 138485-29-7 Catalog No: AG001993 MDL No:
Product Description
Catalog Number:
AG001993
Chemical Name:
Propanedioic acid, 2-[3-(trifluoromethyl)phenyl]-, 1,3-dimethyl ester
CAS Number:
138485-29-7
Molecular Formula:
C12H11F3O4
Molecular Weight:
276.2085
IUPAC Name:
dimethyl 2-[3-(trifluoromethyl)phenyl]propanedioate
InChI:
InChI=1S/C12H11F3O4/c1-18-10(16)9(11(17)19-2)7-4-3-5-8(6-7)12(13,14)15/h3-6,9H,1-2H3
InChI Key:
XQRPCXSCASOJDW-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)C(F)(F)F)C(=O)OC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.211g/mol
Monoisotopic Mass:
276.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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