3-chlorosulfonyl-2,6-difluoro-benzoic acid - CAS 142576-91-8
Catalog: |
BB009380 |
Product Name: |
3-chlorosulfonyl-2,6-difluoro-benzoic acid |
CAS: |
142576-91-8 |
Synonyms: |
3-chlorosulfonyl-2,6-difluorobenzoic acid; 3-chlorosulfonyl-2,6-difluorobenzoic acid |
IUPAC Name: | 3-chlorosulfonyl-2,6-difluorobenzoic acid |
Description: | 3-chlorosulfonyl-2,6-difluoro-benzoic acid (CAS# 142576-91-8) is a useful research chemical. |
Molecular Weight: | 256.61 |
Molecular Formula: | C7H3ClF2O4S |
Canonical SMILES: | C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H3ClF2O4S/c8-15(13,14)4-2-1-3(9)5(6(4)10)7(11)12/h1-2H,(H,11,12) |
InChI Key: | QOVXKOPZKHCCHN-UHFFFAOYSA-N |
MDL: | MFCD03030334 |
LogP: | 2.67130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2016287472-A1 | Cyclized sulfamoylarylamide derivatives and the use thereof as medicaments for the treatment of hepatitis B | 20150702 |
EP-3317286-A1 | Cyclized sulfamoylarylamide derivatives and the use thereof as medicaments for the treatment of hepatitis b | 20150702 |
EP-3317286-B1 | Cyclized sulfamoylarylamide derivatives and the use thereof as medicaments for the treatment of hepatitis b | 20150702 |
EP-3590943-A1 | Cyclized sulfamoylarylamide derivatives and the use thereof as medicaments for the treatment of hepatitis b | 20150702 |
ES-2759775-T3 | Cyclic sulfamoylarylamide derivatives and their use as medicines for the treatment of hepatitis B | 20150702 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.9408638 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.9408638 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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