ethyl 2,6-dibromo-4-chlorobenzoate

C9H7Br2ClO2 — CID 171033804

IUPACethyl 2,6-dibromo-4-chlorobenzoate
SMILESCCOC(=O)c1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C9H7Br2ClO2/c1-2-14-9(13)8-6(10)3-5(12)4-7(8)11/h3-4H,2H2,1H3
InChIKeyALOAJNCZUQZCMD-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.04
Rot. Bonds2

About ethyl 2,6-dibromo-4-chlorobenzoate

ethyl 2,6-dibromo-4-chlorobenzoate (PubChem CID 171033804) has the molecular formula C9H7Br2ClO2 and a molecular weight of 342.41 g/mol. Its IUPAC name is ethyl 2,6-dibromo-4-chlorobenzoate.

Molecular Properties

Compound Nameethyl 2,6-dibromo-4-chlorobenzoate
PubChem CID171033804
Molecular FormulaC9H7Br2ClO2
Molecular Weight342.41 g/mol
Exact Mass339.85
IUPAC Nameethyl 2,6-dibromo-4-chlorobenzoate
SMILESCCOC(=O)c1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C9H7Br2ClO2/c1-2-14-9(13)8-6(10)3-5(12)4-7(8)11/h3-4H,2H2,1H3
InChIKeyALOAJNCZUQZCMD-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-bromo-4,6-dichlorobenzoate
CID 165358373
ethyl 2-bromo-4-chloro-6-(trifluoromethyl)benzoate
CID 164891172
ethyl 2-bromo-4-chloro-6-cyanobenzoate
CID 131580896
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
diethyl 3,5-dibromobenzene-1,2-dicarboxylate
CID 139811983
ethyl 2-(bromomethyl)-4,6-dichlorobenzoate
CID 171013140
ethyl 6-bromo-2-chloro-3-fluorobenzoate
CID 129321242
ethyl 4-bromo-6-chloro-1-benzothiophene-2-carboxylate
CID 169494860
ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033815
ethyl 2-bromo-6-formyl-4-methylbenzoate
CID 171010410

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dibromo-4-chlorobenzoate?
The IUPAC name of ethyl 2,6-dibromo-4-chlorobenzoate (CID 171033804) is ethyl 2,6-dibromo-4-chlorobenzoate.
What is the SMILES notation for ethyl 2,6-dibromo-4-chlorobenzoate?
The canonical SMILES for ethyl 2,6-dibromo-4-chlorobenzoate is CCOC(=O)c1c(Br)cc(Cl)cc1Br.
What is the InChIKey of ethyl 2,6-dibromo-4-chlorobenzoate?
The InChIKey is ALOAJNCZUQZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClO2/c1-2-14-9(13)8-6(10)3-5(12)4-7(8)11/h3-4H,2H2,1H3.
What are the key properties of ethyl 2,6-dibromo-4-chlorobenzoate?
ethyl 2,6-dibromo-4-chlorobenzoate has a molecular weight of 342.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dibromo-4-chlorobenzoate is sourced from PubChem (CID 171033804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).