6-Bromobenzothiophene-2-carboxylic Acid - CAS 19075-58-2
Catalog: |
BB014741 |
Product Name: |
6-Bromobenzothiophene-2-carboxylic Acid |
CAS: |
19075-58-2 |
Synonyms: |
6-bromo-1-benzothiophene-2-carboxylic acid; 6-bromo-1-benzothiophene-2-carboxylic acid |
IUPAC Name: | 6-bromo-1-benzothiophene-2-carboxylic acid |
Description: | 6-Bromobenzothiophene-2-carboxylic Acid (CAS# 19075-58-2) is a useful research chemical. |
Molecular Weight: | 257.10 |
Molecular Formula: | C9H5BrO2S |
Canonical SMILES: | C1=CC2=C(C=C1Br)SC(=C2)C(=O)O |
InChI: | InChI=1S/C9H5BrO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12) |
InChI Key: | CKBBSFOOIOHLPC-UHFFFAOYSA-N |
Boiling Point: | 429.7 ℃ at 760 mmHg |
Density: | 1.813 g/cm3 |
MDL: | MFCD07371540 |
LogP: | 3.36200 |
Publication Number | Title | Priority Date |
WO-2021113679-A1 | Dimeric compounds as sting agonists | 20191206 |
WO-2020205467-A1 | Stat3 protein degraders | 20190329 |
WO-2020198435-A1 | Small molecule degraders of stat3 | 20190326 |
EP-3421464-A1 | Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof | 20170630 |
EP-3421465-A1 | Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof | 20170630 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.91936 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.91936 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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