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1260778-59-3 | Benzenepropanoic acid, 2,3,4-trifluoro-, methyl ester
CAS No: 1260778-59-3 Catalog No: AG000R86 MDL No:
Product Description
Catalog Number:
AG000R86
Chemical Name:
Benzenepropanoic acid, 2,3,4-trifluoro-, methyl ester
CAS Number:
1260778-59-3
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
methyl 3-(2,3,4-trifluorophenyl)propanoate
InChI:
InChI=1S/C10H9F3O2/c1-15-8(14)5-3-6-2-4-7(11)10(13)9(6)12/h2,4H,3,5H2,1H3
InChI Key:
OKQANAYHLQLJHY-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(c(c1F)F)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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