ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate

C10H9Br2ClO2 — CID 171033815

IUPACethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)cc(Br)c1Br
InChIInChI=1S/C10H9Br2ClO2/c1-2-15-9(14)4-6-3-7(13)5-8(11)10(6)12/h3,5H,2,4H2,1H3
InChIKeyMAHCYIJXDWOESO-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.97
Rot. Bonds3

About ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate

ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate (PubChem CID 171033815) has the molecular formula C10H9Br2ClO2 and a molecular weight of 356.44 g/mol. Its IUPAC name is ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
PubChem CID171033815
Molecular FormulaC10H9Br2ClO2
Molecular Weight356.44 g/mol
Exact Mass353.87
IUPAC Nameethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)cc(Br)c1Br
InChIInChI=1S/C10H9Br2ClO2/c1-2-15-9(14)4-6-3-7(13)5-8(11)10(6)12/h3,5H,2,4H2,1H3
InChIKeyMAHCYIJXDWOESO-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033944
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
CID 171028434
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 2-[2-(bromomethyl)-4-chloro-6-methylphenyl]acetate
CID 171013601
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(2-bromo-4-iodophenyl)acetate
CID 131871493
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
ethyl 2-(2-bromo-4-chloro-5-formylphenyl)acetate
CID 171006656
ethyl 2-(4-bromo-2-iodo-5-methylphenyl)acetate
CID 171563647

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate?
The IUPAC name of ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate (CID 171033815) is ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate?
The canonical SMILES for ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate is CCOC(=O)Cc1cc(Cl)cc(Br)c1Br.
What is the InChIKey of ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate?
The InChIKey is MAHCYIJXDWOESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2ClO2/c1-2-15-9(14)4-6-3-7(13)5-8(11)10(6)12/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate?
ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate has a molecular weight of 356.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate is sourced from PubChem (CID 171033815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).