Basic information
- CAS
90745-30-5- Standard SMILES
O=c1sc2ccccc2n1Cc1ccc(F)cc1- InChIKey
UCZQUUHHEUXKMO-UHFFFAOYSA-N- Molecular formula
- C14H10FNOS
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.04671328
Names & identifiers
- Preferred name
- 2(3H)-Benzothiazolone, 3-[(4-fluorophenyl)methyl]-
- IUPAC
- 3-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-one
- English name
- 2(3H)-Benzothiazolone, 3-[(4-fluorophenyl)methyl]-
- Molecular formula
- C14H10FNOS
- Molecular weight
- 259.3
Names & synonyms
90745-30-52(3H)-Benzothiazolone, 3-[(4-fluorophenyl)methyl]-3-(4-fluorobenzyl)-1,3-benzothiazol-2(3H)-one3-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-oneOprea1_241365DTXSID60353862AKOS024325723AB00082535-013-[(4-Fluorophenyl)methyl]-1,3-benzothiazol-2(3H)-one
Database identifiers
- CAS
90745-30-5- PubChem CID
- 756010
- DTXSID
DTXSID60353862- Nikkaji
- J833.581H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 421.7 · 421.7±47.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- -1.44 · -1.44±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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