5-fluoro-1,3-benzothiazole-2-carboxylic acid - CAS 139425-47-1
Catalog: |
BB008945 |
Product Name: |
5-fluoro-1,3-benzothiazole-2-carboxylic acid |
CAS: |
139425-47-1 |
Synonyms: |
5-fluoro-1,3-benzothiazole-2-carboxylic acid; 5-fluoro-1,3-benzothiazole-2-carboxylic acid |
IUPAC Name: | 5-fluoro-1,3-benzothiazole-2-carboxylic acid |
Description: | 5-fluoro-1,3-benzothiazole-2-carboxylic acid (CAS# 139425-47-1 ) is a useful research chemical. |
Molecular Weight: | 197.183 |
Molecular Formula: | C8H4FNO2S |
Canonical SMILES: | C1=CC2=C(C=C1F)N=C(S2)C(=O)O |
InChI: | InChI=1S/C8H4FNO2S/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12) |
InChI Key: | SZTWYWTZDUJKII-UHFFFAOYSA-N |
LogP: | 2.13360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2010027875-A2 | Compounds that modulate intracellular calcium | 20080827 |
EP-2167077-A2 | Aryl/hetarylamides as modulators of the ep2 receptor | 20070613 |
US-2009023741-A1 | Aryl/hetarylamides as modulators of the ep2 receptor | 20070613 |
WO-2008152099-A2 | Aryl/hetarylamides as modulators of the ep2 receptor | 20070613 |
US-5322847-A | Azabenzimidazoles in the treatment of asthma, arthritis and related diseases | 19921105 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.99467771 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.99467771 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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