6-Bromobenzo[d]thiazole-2-carboxylic acid - CAS 1187928-32-0
Catalog: |
BB054408 |
Product Name: |
6-Bromobenzo[d]thiazole-2-carboxylic acid |
CAS: |
1187928-32-0 |
Synonyms: |
6-bromo-benzothiazole-2-carboxylic acid |
IUPAC Name: | 6-bromo-1,3-benzothiazole-2-carboxylic acid |
Molecular Weight: | 258.09 |
Molecular Formula: | C8H4BrNO2S |
Canonical SMILES: | C1=CC2=C(C=C1Br)SC(=N2)C(=O)O |
InChI: | InChI=1S/C8H4BrNO2S/c9-4-1-2-5-6(3-4)13-7(10-5)8(11)12/h1-3H,(H,11,12) |
InChI Key: | AQBJCIGZRNFZBK-UHFFFAOYSA-N |
Boiling Point: | 433.0±37.0 °C at 760 mmHg |
Density: | 1.9±0.1 g/cm3 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Related Functional Groups
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