2-Bromomethyl-3-(4-fluoro-phenoxy)-benzoic acid ethyl ester

HCID 67110141

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)c1cccc(Oc2ccc(F)cc2)c1CBr
InChIKey: ZBFRYOCLKLLZBI-UHFFFAOYSA-N
Molecular formula: C16H14BrFO3
Average molar mass: 353.18 g/mol

Names & identifiers

Preferred name: 2-Bromomethyl-3-(4-fluoro-phenoxy)-benzoic acid ethyl ester
IUPAC: ethyl 2-(bromomethyl)-3-(4-fluorophenoxy)benzoate

Names & synonyms

SCHEMBL1656132ZBFRYOCLKLLZBI-UHFFFAOYSA-N2-Bromomethyl-3-(4-fluoro-phenoxy)-benzoic acid ethyl ester

Database identifiers

PubChem CID: 67110141

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 331

Related reactions

8 records

New reaction record

HRID 93714As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 142885As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 409202As productuspto-grants-2014_06

HRID 409203As reactantuspto-grants-2014_06

HRID 706133As productuspto-grants-2015_11

HRID 706134As reactantuspto-grants-2015_11

HRID 2077126As productuspto-grants-2011_04

HRID 2077127As reactantuspto-grants-2011_04

Compound notes

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