Basic information
- CAS
906095-45-2- Standard SMILES
Cc1ccc(-c2nc3c(C(=O)O)cc(Cl)cc3o2)cc1- InChIKey
KAMRNVJJRWKQPP-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO3
- Average molar mass
- 287.7 g/mol
- Monoisotopic mass
- 287.0349209
Names & identifiers
- Preferred name
- 6-Chloro-2-p-tolylbenzoxazole-4-carboxylic acid
- IUPAC
- 6-chloro-2-(4-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
Names & synonyms
SCHEMBL2961683KAMRNVJJRWKQPP-UHFFFAOYSA-NDTXSID0012022016-chloro-2-p-tolylbenzoxazole-4-carboxylic acid6-Chloro-2-(4-methylphenyl)-4-benzoxazolecarboxylic acid6-chloro-2-(4-methylphenyl)-1,3-benzoxazole-4-carboxylic acid906095-45-2
Database identifiers
- CAS
906095-45-2- PubChem CID
- 68458338
- DTXSID
DTXSID001202201
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Related reactions
3 records
Compound notes
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