Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate

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Basic information

Standard SMILES: CCOC(=O)c1cc(-c2ccc(Cl)cc2)no1
InChIKey: HMJZECLYUKCVRS-UHFFFAOYSA-N
Molecular formula: C12H10ClNO3
Average molar mass: 251.66 g/mol
Monoisotopic mass: 251.0349209

Names & identifiers

Preferred name: Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate
IUPAC: ethyl 3-(4-chlorophenyl)-1,2-oxazole-5-carboxylate

Names & synonyms

29363-97-1ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylateethyl 3-(4-chlorophenyl)-1,2-oxazole-5-carboxylate5-(4-Chloro-phenyl)-isoxazole-3-carboxylic ac id ethyl esterChemDiv2_000591SCHEMBL2180427CHEMBL4539306HMJZECLYUKCVRS-UHFFFAOYSA-NHMS1370K19STL329410AKOS000670496DA-07256

Show more names

EU-0070877

Database identifiers

PubChem CID: 776507
ChEMBL: CHEMBL4539306
Nikkaji: J2.896.490K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 266

Related reactions

1 records

New reaction record

HRID 404093As reactantuspto-grants-2014_06

Compound notes

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