ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate

C10H9Br2ClO2 — CID 171033814

IUPACethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
SMILESCCOC(=O)Cc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C10H9Br2ClO2/c1-2-15-10(14)5-7-8(11)3-6(13)4-9(7)12/h3-4H,2,5H2,1H3
InChIKeyBFEBLLLAYCQNSV-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.97
Rot. Bonds3

About ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate

ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate (PubChem CID 171033814) has the molecular formula C10H9Br2ClO2 and a molecular weight of 356.44 g/mol. Its IUPAC name is ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
PubChem CID171033814
Molecular FormulaC10H9Br2ClO2
Molecular Weight356.44 g/mol
Exact Mass353.87
IUPAC Nameethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
SMILESCCOC(=O)Cc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C10H9Br2ClO2/c1-2-15-10(14)5-7-8(11)3-6(13)4-9(7)12/h3-4H,2,5H2,1H3
InChIKeyBFEBLLLAYCQNSV-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

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Related Compounds

ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033815
ethyl 2-[2-(bromomethyl)-4-chloro-6-methylphenyl]acetate
CID 171013601
ethyl 2-[2,4-dibromo-6-(chloromethyl)phenyl]acetate
CID 171005972
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate
CID 171006294
ethyl 2-(2-bromo-6-fluoro-4-formylphenyl)acetate
CID 171010370
ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
ethyl 2-[2-(bromomethyl)-4-chloro-6-cyanophenyl]acetate
CID 134652770

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate?
The IUPAC name of ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate (CID 171033814) is ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate?
The canonical SMILES for ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate is CCOC(=O)Cc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate?
The InChIKey is BFEBLLLAYCQNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2ClO2/c1-2-15-10(14)5-7-8(11)3-6(13)4-9(7)12/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate?
ethyl 2-(2,6-dibromo-4-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-(2,6-dibromo-4-chlorophenyl)acetate is sourced from PubChem (CID 171033814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).