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115686-70-9 | Acetic acid, 2-fluoro-2-oxo-, 2-chloro-2-propen-1-yl ester
CAS No: 115686-70-9 Catalog No: AG000GRE MDL No:MFCD09763635
Product Description
Catalog Number:
AG000GRE
Chemical Name:
Acetic acid, 2-fluoro-2-oxo-, 2-chloro-2-propen-1-yl ester
CAS Number:
115686-70-9
Molecular Formula:
C5H4ClFO3
Molecular Weight:
166.5349
MDL Number:
MFCD09763635
IUPAC Name:
2-chloroprop-2-enyl 2-fluoro-2-oxoacetate
InChI:
InChI=1S/C5H4ClFO3/c1-3(6)2-10-5(9)4(7)8/h1-2H2
InChI Key:
VFJFFZOLHSXKOG-UHFFFAOYSA-N
SMILES:
ClC(=C)COC(=O)C(=O)F
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.983g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.532g/mol
Monoisotopic Mass:
165.983g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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