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71195-85-2 | 2-Propenoic acid,2,3,4,5,6-pentafluorophenyl ester
CAS No: 71195-85-2 Catalog No: AG005KCS MDL No:MFCD00042330
Product Description
Catalog Number:
AG005KCS
Chemical Name:
2-Propenoic acid,2,3,4,5,6-pentafluorophenyl ester
CAS Number:
71195-85-2
Molecular Formula:
C9H3F5O2
Molecular Weight:
238.1109
MDL Number:
MFCD00042330
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) prop-2-enoate
InChI:
InChI=1S/C9H3F5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2
InChI Key:
RFOWDPMCXHVGET-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.113g/mol
Monoisotopic Mass:
238.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Total synthesis of ciguatoxin and 51-hydroxyCTX3C. | Journal of the American Chemical Society 20060726 |
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