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773134-92-2 | Ethyl 2-fluoro-3-trifluoromethylbenzoate
CAS No: 773134-92-2 Catalog No: AG01FC50 MDL No:
Product Description
Catalog Number:
AG01FC50
Chemical Name:
Ethyl 2-fluoro-3-trifluoromethylbenzoate
CAS Number:
773134-92-2
Molecular Formula:
C10H8F4O2
Molecular Weight:
236.1629
IUPAC Name:
ethyl 2-fluoro-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8F4O2/c1-2-16-9(15)6-4-3-5-7(8(6)11)10(12,13)14/h3-5H,2H2,1H3
InChI Key:
BEBIBPVEZYVTSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1F)C(F)(F)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.166g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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