Basic information
- CAS
62143-78-6- Standard SMILES
CC(C(=O)O)c1ccc2nc(-c3ccc(Cl)cc3Cl)oc2c1- InChIKey
IQHPZIBKIKARIS-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NO3
- Average molar mass
- 336.2 g/mol
- Monoisotopic mass
- 335.0115986
Names & identifiers
- Preferred name
- 6-Benzoxazoleacetic acid, 2-(2,4-dichlorophenyl)-alpha-methyl-
- IUPAC
- 2-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-6-yl]propanoic acid
- English name
- 2-(2,4-Dichlorophenyl)-α-methyl-6-benzoxazoleacetic acid
- Molecular formula
- C16H11Cl2NO3
- Molecular weight
- 336.17
Names & synonyms
62143-78-6BRN 10250492-(2,4-Dichlorophenyl)-alpha-methyl-6-benzoxazoleacetic acid6-BENZOXAZOLEACETIC ACID, 2-(2,4-DICHLOROPHENYL)-alpha-METHYL-RefChem:3072452-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-6-yl]propanoic acidCHEMBL3246584DTXSID30977736DB-3546772-(2,4-Dichlorophenyl)-α-methyl-6-benzoxazoleacetic acid6-Benzoxazoleacetic acid, 2-(2,4-dichlorophenyl)-α-methyl-
Database identifiers
- CAS
62143-78-6- PubChem CID
- 43936
- DTXSID
DTXSID30977736- ChEMBL
CHEMBL3246584- Nikkaji
- J67.866J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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