4-Chloro-3-chlorosulfonylbenzoic acid - CAS 2494-79-3
Catalog: |
BB018674 |
Product Name: |
4-Chloro-3-chlorosulfonylbenzoic acid |
CAS: |
2494-79-3 |
Synonyms: |
4-chloro-3-chlorosulfonylbenzoic acid |
IUPAC Name: | 4-chloro-3-chlorosulfonylbenzoic acid |
Description: | An intermediate of Indapamide (I500100), as bactericide, disinfectant, and antiseptic. |
Molecular Weight: | 255.08 |
Molecular Formula: | C7H4Cl2O4S |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Cl |
InChI: | InChI=1S/C7H4Cl2O4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11) |
InChI Key: | LYBQQYNSZYSUMT-UHFFFAOYSA-N |
Boiling Point: | 432.4 °C at 760 mmHg |
Density: | 1.694 g/cm3 |
Appearance: | Off white powder |
LogP: | 3.04650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019046271-A1 | ANTIVIRAL AGENTS AGAINST HEPATITIS B | 20170828 |
EP-3675637-A1 | Hepatitis b antiviral agents | 20170828 |
US-10952978-B2 | Hepatitis B antiviral agents | 20170828 |
EP-3426245-A1 | Hepatitis b antiviral agents | 20160307 |
US-10179792-B2 | Hepatitis B antiviral agents | 20160307 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.9207352 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.9207352 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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