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114589-65-0 | 2-Propenoic acid, 2-fluoro-, 2,6-dibromo-4-fluorophenyl ester
CAS No: 114589-65-0 Catalog No: AG000EQW MDL No:
Product Description
Catalog Number:
AG000EQW
Chemical Name:
2-Propenoic acid, 2-fluoro-, 2,6-dibromo-4-fluorophenyl ester
CAS Number:
114589-65-0
Molecular Formula:
C9H4Br2F2O2
Molecular Weight:
341.9317
IUPAC Name:
(2,6-dibromo-4-fluorophenyl) 2-fluoroprop-2-enoate
InChI:
InChI=1S/C9H4Br2F2O2/c1-4(12)9(14)15-8-6(10)2-5(13)3-7(8)11/h2-3H,1H2
InChI Key:
VLSBYBJBUBMLQZ-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c(c(c1)Br)OC(=O)C(=C)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.853g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.934g/mol
Monoisotopic Mass:
339.855g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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