2-Chloro-4-fluorobenzothiazole - CAS 182344-56-5
Catalog: |
BB076896 |
Product Name: |
2-Chloro-4-fluorobenzothiazole |
CAS: |
182344-56-5 |
Synonyms: |
2-chloro-4-fluorobenzo[d]thiazole; Benzothiazole, 2-chloro-4-fluoro- |
IUPAC Name: | 2-chloro-4-fluoro-1,3-benzothiazole |
Molecular Weight: | 187.62 |
Molecular Formula: | C7H3NClFS |
Canonical SMILES: | C1=CC(=C2C(=C1)SC(=N2)Cl)F |
InChI: | InChI=1S/C7H3ClFNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H |
InChI Key: | VCSYBEOXGIHVTR-UHFFFAOYSA-N |
Boiling Point: | 253.0±13.0°C at 760 mmHg |
Purity: | 95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.9658761 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.9658761 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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