Basic information
- CAS
72744-03-7- Standard SMILES
COC(=O)c1onc2ccc(Cl)cc12- InChIKey
YONIEDKNVXPSTD-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO3
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.0036207
Names & identifiers
- Preferred name
- Methyl 5-chloro-2,1-benzoxazole-3-carboxylate
- IUPAC
- methyl 5-chloro-2,1-benzoxazole-3-carboxylate
Names & synonyms
methyl 5-chloro-2,1-benzoxazole-3-carboxylate72744-03-7DTXSID70320368RefChem:356041DTXCID00271490NSC358735NSC-358735
Database identifiers
- CAS
72744-03-7- PubChem CID
- 338034
- DTXSID
DTXSID70320368
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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