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131922-75-3 | Acetic acid, 2-chloro-2-oxo-, 2,6-difluorophenyl ester
CAS No: 131922-75-3 Catalog No: AG000ZXR MDL No:
Product Description
Catalog Number:
AG000ZXR
Chemical Name:
Acetic acid, 2-chloro-2-oxo-, 2,6-difluorophenyl ester
CAS Number:
131922-75-3
Molecular Formula:
C8H3ClF2O3
Molecular Weight:
220.5574
IUPAC Name:
(2,6-difluorophenyl) 2-chloro-2-oxoacetate
InChI:
InChI=1S/C8H3ClF2O3/c9-7(12)8(13)14-6-4(10)2-1-3-5(6)11/h1-3H
InChI Key:
DRCKOOFLNYCCMI-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Cl)Oc1c(F)cccc1F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.556g/mol
Monoisotopic Mass:
219.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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