3-Benzoxazolinecarboxylic acid, 5-chloro-2-oxo-, ethyl ester
Basic information
- CAS
24963-24-4- Standard SMILES
CCOC(=O)n1c(=O)oc2ccc(Cl)cc21- InChIKey
PXGIZDAJJVNROD-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO4
- Average molar mass
- 241.63 g/mol
- Monoisotopic mass
- 241.0141854
Names & identifiers
- Preferred name
- 3-Benzoxazolinecarboxylic acid, 5-chloro-2-oxo-, ethyl ester
- IUPAC
- ethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Names & synonyms
24963-24-4BRN 11240323-Benzoxazolinecarboxylic acid, 5-chloro-2-oxo-, ethyl esterEthyl 5-chloro-2-oxo-3-benzoxazolinecarboxylateDTXSID10179670RefChem:276926DTXCID70102161Ethyl 5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylateOprea1_504250MLS000547545CHEMBL1566743PXGIZDAJJVNROD-UHFFFAOYSA-N
Show more names
HMS2364B20STK677615AKOS005594855NCGC00247187-01SMR000114238ST051445AG-205/40775975SR-01000534440
Database identifiers
- CAS
24963-24-4- PubChem CID
- 212810
- DTXSID
DTXSID10179670- ChEMBL
CHEMBL1566743
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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