Ethyl 3-(2-fluoroethoxy)benzoate

HCID 15058633

Notes Reactions

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Basic information

CAS: 93613-05-9
Standard SMILES: CCOC(=O)c1cccc(OCCF)c1
InChIKey: YDORIXPOSFQTBX-UHFFFAOYSA-N
Molecular formula: C11H13FO3
Average molar mass: 212.22 g/mol
Monoisotopic mass: 212.08487243

Names & identifiers

Preferred name: Ethyl 3-(2-fluoroethoxy)benzoate
IUPAC: ethyl 3-(2-fluoroethoxy)benzoate

Names & synonyms

ethyl 3-(2-fluoroethoxy)benzoate93613-05-9SCHEMBL10980323YDORIXPOSFQTBX-UHFFFAOYSA-NDTXSID101302272Benzoic acid, 3-(2-fluoroethoxy)-, ethyl ester

Database identifiers

CAS: 93613-05-9
PubChem CID: 15058633
DTXSID: DTXSID101302272

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 196

Related reactions

4 records

New reaction record

HRID 153965 reaction equation

HRID 153965As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1144896 reaction equation

HRID 1144896As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1583583 reaction equation

HRID 1583583As productuspto-grants-1985_11

HRID 1583584 reaction equation

HRID 1583584As reactantuspto-grants-1985_11

Compound notes

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