2-Chloro-5-chlorosulfonyl-4-fluorobenzoic acid - CAS 264927-50-6
Catalog: |
BB019306 |
Product Name: |
2-Chloro-5-chlorosulfonyl-4-fluorobenzoic acid |
CAS: |
264927-50-6 |
Synonyms: |
2-chloro-5-chlorosulfonyl-4-fluorobenzoic acid |
IUPAC Name: | 2-chloro-5-chlorosulfonyl-4-fluorobenzoic acid |
Description: | 2-Chloro-5-chlorosulfonyl-4-fluorobenzoic acid (CAS# 264927-50-6) is a useful research chemical. |
Molecular Weight: | 273.07 |
Molecular Formula: | C7H3Cl2FO4S |
Canonical SMILES: | C1=C(C(=CC(=C1S(=O)(=O)Cl)F)Cl)C(=O)O |
InChI: | InChI=1S/C7H3Cl2FO4S/c8-4-2-5(10)6(15(9,13)14)1-3(4)7(11)12/h1-2H,(H,11,12) |
InChI Key: | QOPIIRYHSQOQRN-UHFFFAOYSA-N |
Boiling Point: | 383.5 °C at 760 mmHg |
Density: | 1.764 g/cm3 |
MDL: | MFCD01321365 |
LogP: | 3.18560 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3597637-A1 | Inhibitors of hepatitis b virus | 20180719 |
EP-3597653-A1 | Cyclic inhibitors of hepatitis b virus | 20180719 |
WO-2020016427-A1 | Inhibitors of hepatitis b virus | 20180719 |
WO-2020016434-A1 | Cyclic inhibitors of hepatitis b virus | 20180719 |
CN-112912368-A | Inhibitors of hepatitis B virus | 20180719 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.9113133 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.9113133 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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