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Home > Fluorides > 114859-23-3
114859-23-3 | 2-Propenoic acid, 2-methyl-, (2,3,4,5,6-pentafluorophenyl)methyl ester
CAS No: 114859-23-3 Catalog No: AG000FDF MDL No:MFCD00042329
Product Description
Catalog Number:
AG000FDF
Chemical Name:
2-Propenoic acid, 2-methyl-, (2,3,4,5,6-pentafluorophenyl)methyl ester
CAS Number:
114859-23-3
Molecular Formula:
C11H7F5O2
Molecular Weight:
266.1641
MDL Number:
MFCD00042329
IUPAC Name:
[difluoro-(2,3,4-trifluorophenyl)methyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C11H7F5O2/c1-5(2)10(17)18-11(15,16)6-3-4-7(12)9(14)8(6)13/h3-4H,1H2,2H3
InChI Key:
KYOVZNUXIBOBCQ-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OCc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.167g/mol
Monoisotopic Mass:
266.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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