Basic information
- CAS
1538531-61-1- Standard SMILES
O=C(O)c1ccc2nc(-c3cc(Cl)ccc3Cl)oc2c1- InChIKey
WCTAZEQXFHCORU-UHFFFAOYSA-N- Molecular formula
- C14H7Cl2NO3
- Average molar mass
- 308.1 g/mol
- Monoisotopic mass
- 306.9802985
Names & identifiers
- Preferred name
- 3U5Czs4zjr
- IUPAC
- 2-(2,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
Names & synonyms
3U5CZS4ZJRSCHEMBL12704761AKOS0199313321538531-61-12-(2,5-Dichlorophenyl)-6-benzoxazolecarboxylic acid6-Benzoxazolecarboxylic acid, 2-(2,5-dichlorophenyl)-
Database identifiers
- CAS
1538531-61-1- PubChem CID
- 11601983
- UNII
- 3U5CZS4ZJR
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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