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1260761-29-2 | Benzenepropanoic acid, 2,4,5-trifluoro-, methyl ester
CAS No: 1260761-29-2 Catalog No: AG000R5H MDL No:
Product Description
Catalog Number:
AG000R5H
Chemical Name:
Benzenepropanoic acid, 2,4,5-trifluoro-, methyl ester
CAS Number:
1260761-29-2
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
methyl 3-(2,4,5-trifluorophenyl)propanoate
InChI:
InChI=1S/C10H9F3O2/c1-15-10(14)3-2-6-4-8(12)9(13)5-7(6)11/h4-5H,2-3H2,1H3
InChI Key:
BQZGJLCVIRQSAQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1cc(F)c(cc1F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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