CAS 52094-97-0 Ethyl 2-(2-chlorophenoxy)acetate (HCID 302826)

Substructure search Find similar structures

Basic information

CAS: 52094-97-0
Standard SMILES: CCOC(=O)COc1ccccc1Cl
InChIKey: VJGDGQCMUALSPH-UHFFFAOYSA-N
Molecular formula: C10H11ClO3
Average molar mass: 214.64 g/mol
Monoisotopic mass: 214.03967189

Names & identifiers

Preferred name: Ethyl 2-(2-chlorophenoxy)acetate
IUPAC: ethyl 2-(2-chlorophenoxy)acetate
English name: (2-Chloro-phenoxy)-acetic acid ethyl ester
Molecular formula: C10H11ClO3
Molecular weight: 214.65

Names & synonyms

ethyl 2-(2-chlorophenoxy)acetate52094-97-0(2-Chloro-phenoxy)-acetic acid ethyl esterethyl (2-chlorophenoxy)acetateNSC190550(2-Chlorophenoxy)acetic Acid Ethyl EsterEthyl 2-chlorophenoxyacetateSCHEMBL2011265SCHEMBL9449949ethyl2-(2-chlorophenoxy)acetateSCHEMBL15018549DTXSID50307258

Show more names

AKOS B006645ART-CHEM-BB B006645Acetic acid, 2-(2-chlorophenoxy)-, ethyl ester

VJGDGQCMUALSPH-UHFFFAOYSA-NSTK072081AKOS000308042NSC 190550NSC-190550(2-Chloro-phenoxy)-aceticacid ethyl ester(2-Chlorophenoxy)-acetic acid ethyl esterDB-200106

Database identifiers

CAS: 52094-97-0
PubChem CID: 302826
DTXSID: DTXSID50307258
Nikkaji: J3.240.725K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 184

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338