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Home > Fluorides > 130540-87-3
130540-87-3 | 2-Propenoic acid, 2-methyl-, 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl ester
CAS No: 130540-87-3 Catalog No: AG000UMQ MDL No:
Product Description
Catalog Number:
AG000UMQ
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl ester
CAS Number:
130540-87-3
Molecular Formula:
C13H10F6O2
Molecular Weight:
312.2077
IUPAC Name:
(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2-methylprop-2-enoate
InChI:
InChI=1S/C13H10F6O2/c1-8(2)10(20)21-11(12(14,15)16,13(17,18)19)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChI Key:
SFYAZQDOFPKNOH-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OC(C(F)(F)F)(C(F)(F)F)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.211g/mol
Monoisotopic Mass:
312.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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