Ethyl 4-amino-5-chloro-2-fluorophenylacetate

HCID 17858807

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)Cc1cc(Cl)c(N)cc1F
InChIKey: IONFJFVVCCYPCI-UHFFFAOYSA-N
Molecular formula: C10H11ClFNO2
Average molar mass: 231.65 g/mol

Names & identifiers

Preferred name: Ethyl 4-amino-5-chloro-2-fluorophenylacetate
IUPAC: ethyl 2-(4-amino-5-chloro-2-fluorophenyl)acetate

Names & synonyms

SCHEMBL2433074IONFJFVVCCYPCI-UHFFFAOYSA-Nethyl 4-amino-5-chloro-2-fluorophenylacetateethyl (4-amino-3-chloro-6-fluorophenyl)acetateethyl (4-amino-5-chloro-2-fluorophenyl)acetate(4-amino-5-chloro-2-fluorophenyl)acetic acid ethyl ester

Database identifiers

PubChem CID: 17858807

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 227

Related reactions

16 records

New reaction record

HRID 95651As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 184541As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 290851As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 301124As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 693714As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 956264As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 956577As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1372668As reactantuspto-grants-2007_01

Linked notes

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