Basic information
- CAS
36782-49-7- Standard SMILES
O=C(O)Cc1ccc2sc(-c3ccc(Cl)cc3)nc2c1- InChIKey
FJGLVTYWNCZPBL-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2S
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.0120774
Names & identifiers
- Preferred name
- 5-Benzothiazoleacetic acid, 2-(4-chlorophenyl)-
- IUPAC
- 2-[2-(4-chlorophenyl)-1,3-benzothiazol-5-yl]acetic acid
- English name
- 2-(4-Chlorophenyl)-5-benzothiazoleacetic acid
- Molecular weight
- 0
Names & synonyms
36782-49-72-(4-Chlorophenyl)-5-benzothiazoleacetic acidBRN 08087945-BENZOTHIAZOLEACETIC ACID, 2-(4-CHLOROPHENYL)-DTXSID80190251RefChem:301244DTXCID90112742DB-260041[2-(4-Chlorophenyl)-1,3-benzothiazol-5-yl]acetic acid
Database identifiers
- CAS
36782-49-7- PubChem CID
- 37538
- DTXSID
DTXSID80190251- Nikkaji
- J54.531G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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