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1443351-10-7 | 3,4,5-Trifluorophenethyl acetate
CAS No: 1443351-10-7 Catalog No: AG01FEQG MDL No:
Product Description
Catalog Number:
AG01FEQG
Chemical Name:
3,4,5-Trifluorophenethyl acetate
CAS Number:
1443351-10-7
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
2-(3,4,5-trifluorophenyl)ethyl acetate
InChI:
InChI=1S/C10H9F3O2/c1-6(14)15-3-2-7-4-8(11)10(13)9(12)5-7/h4-5H,2-3H2,1H3
InChI Key:
NVMBFLPBHFZDMU-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1cc(F)c(c(c1)F)F
Properties
Complexity:
211
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:
2.4
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