Ethyl 2-(5-bromo-4-fluoro-2-nitrophenyl)acetate

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Basic information

CAS: 944805-65-6
Standard SMILES: CCOC(=O)Cc1cc(Br)c(F)cc1[N+](=O)[O-]
InChIKey: NINUTTQKSNMVTQ-UHFFFAOYSA-N
Molecular formula: C10H9BrFNO4
Average molar mass: 306.08 g/mol
Monoisotopic mass: 304.9699

Names & identifiers

Preferred name: Ethyl 2-(5-bromo-4-fluoro-2-nitrophenyl)acetate
IUPAC: ethyl 2-(5-bromo-4-fluoro-2-nitrophenyl)acetate

Names & synonyms

944805-65-6SCHEMBL4300344NINUTTQKSNMVTQ-UHFFFAOYSA-NDTXSID801257167Ethyl 5-bromo-4-fluoro-2-nitrophenylacetateEthyl 5-bromo-4-fluoro-2-nitrobenzeneacetateEthyl (5-bromo-4-fluoro-2-nitrophenyl)acetateethyl 2-(5-bromo-4-fluoro-2-nitrophenyl)acetate

Database identifiers

CAS: 944805-65-6
PubChem CID: 68993272
DTXSID: DTXSID801257167

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 297

Related reactions

3 records

New reaction record

HRID 661106As reactantuspto-grants-2011_12

HRID 2109777As reactantuspto-grants-2009_04

HRID 2337151As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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