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114589-64-9 | 2-Propenoic acid, 2-fluoro-, 2,3,4,5,6-pentachlorophenyl ester
CAS No: 114589-64-9 Catalog No: AG000EQX MDL No:
Product Description
Catalog Number:
AG000EQX
Chemical Name:
2-Propenoic acid, 2-fluoro-, 2,3,4,5,6-pentachlorophenyl ester
CAS Number:
114589-64-9
Molecular Formula:
C9H2Cl5FO2
Molecular Weight:
338.3744
IUPAC Name:
(2,3,4,5,6-pentachlorophenyl) 2-fluoroprop-2-enoate
InChI:
InChI=1S/C9H2Cl5FO2/c1-2(15)9(16)17-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChI Key:
KJLRLQQRENYILJ-UHFFFAOYSA-N
SMILES:
O=C(C(=C)F)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.845g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.361g/mol
Monoisotopic Mass:
335.848g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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