2-Chloroallyl 2-fluoro-2-oxoacetate - CAS 115686-70-9
Catalog: |
BB003611 |
Product Name: |
2-Chloroallyl 2-fluoro-2-oxoacetate |
CAS: |
115686-70-9 |
Synonyms: |
2-chloroprop-2-enyl 2-fluoro-2-oxoacetate |
IUPAC Name: | 2-chloroprop-2-enyl 2-fluoro-2-oxoacetate |
Description: | 2-Chloroallyl 2-fluoro-2-oxoacetate (CAS# 115686-70-9 ) is a useful research chemical. |
Molecular Weight: | 166.53 |
Molecular Formula: | C5H4ClFO3 |
Canonical SMILES: | C=C(COC(=O)C(=O)F)Cl |
InChI: | InChI=1S/C5H4ClFO3/c1-3(6)2-10-5(9)4(7)8/h1-2H2 |
InChI Key: | VFJFFZOLHSXKOG-UHFFFAOYSA-N |
MDL: | MFCD09763635 |
LogP: | 0.77820 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-0338735-A1 | Process for optically active 3-(methane-sulfonyloxy)thioland and analogs | 19880419 |
EP-0338735-B1 | Process for optically active 3-(methane-sulfonyloxy)thioland and analogs | 19880419 |
JP-H0637459-B2 | Optically active 3- (methanesulfonyloxy) thiolane and its analogues | 19880419 |
PT-90292-B | Process for the preparation of 3- (methanesulfonyloxy) tiolane and optically active analogs | 19880419 |
US-4874877-A | Process for optically active 3-(methane-sulfonyloxy)thiolane and analogs | 19880419 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.9832998 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.9832998 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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