6-Bromobenzoisothiazole-3-carboxylic Acid - CAS 677304-75-5
Catalog: |
BB033379 |
Product Name: |
6-Bromobenzoisothiazole-3-carboxylic Acid |
CAS: |
677304-75-5 |
Synonyms: |
6-bromo-1,2-benzothiazole-3-carboxylic acid; 6-bromo-1,2-benzothiazole-3-carboxylic acid |
IUPAC Name: | 6-bromo-1,2-benzothiazole-3-carboxylic acid |
Description: | 6-Bromobenzoisothiazole-3-carboxylic Acid (CAS# 677304-75-5) is a useful research chemical compound. |
Molecular Weight: | 258.09 |
Molecular Formula: | C8H4BrNO2S |
Canonical SMILES: | C1=CC2=C(C=C1Br)SN=C2C(=O)O |
InChI: | InChI=1S/C8H4BrNO2S/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12) |
InChI Key: | FWQJCLJQWQXNTD-UHFFFAOYSA-N |
Boiling Point: | 337.5 °C at 760 mmHg |
Density: | 1.912 g/cm3 |
LogP: | 2.75700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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 |
CN-108341822-B | FXR receptor modulator and preparation method and application thereof | 20170123 |
CA-2711782-A1 | 5h-cyclopenta[d]pyrimidines as akt protein kinase inhibitors | 20080109 |
CA-2711782-C | 5h-cyclopenta[d]pyrimidines as akt protein kinase inhibitors | 20080109 |
EP-2250155-A1 | 5h-cyclopenta[d]pyrimidines as akt protein kinase inhibitors | 20080109 |
EP-2250155-B1 | 5h-cyclopenta[d]pyrimidines as akt protein kinase inhibitors | 20080109 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.91461 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.91461 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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