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Home > Fluorides > 252061-10-2
252061-10-2 | 2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester
CAS No: 252061-10-2 Catalog No: AG002QXK MDL No:
Product Description
Catalog Number:
AG002QXK
Chemical Name:
2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester
CAS Number:
252061-10-2
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
IUPAC Name:
2-phenylethyl 2-(trifluoromethyl)prop-2-enoate
InChI:
InChI=1S/C12H11F3O2/c1-9(12(13,14)15)11(16)17-8-7-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChI Key:
BQQVKHGUIVEXDQ-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C(F)(F)F)OCCc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.213g/mol
Monoisotopic Mass:
244.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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