4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, ethyl ester

HCID 28853

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Basic information

CAS: 17960-18-8
Standard SMILES: CCOC(=O)c1c(-c2ccc([N+](=O)[O-])o2)noc1C
InChIKey: FLSUCOSDIOQIJQ-UHFFFAOYSA-N
Molecular formula: C11H10N2O6
Average molar mass: 266.21 g/mol
Monoisotopic mass: 266.05388604

Names & identifiers

Preferred name: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, ethyl ester
IUPAC: ethyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate

Names & synonyms

4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, ETHYL ESTER17960-18-8BRN 0555751ethyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid ethyl esterDTXSID70170840

Database identifiers

CAS: 17960-18-8
PubChem CID: 28853
DTXSID: DTXSID70170840

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 358

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