ethyl 2-bromo-4,6-dichlorobenzoate

C9H7BrCl2O2 — CID 165358373

IUPACethyl 2-bromo-4,6-dichlorobenzoate
SMILESCCOC(=O)c1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C9H7BrCl2O2/c1-2-14-9(13)8-6(10)3-5(11)4-7(8)12/h3-4H,2H2,1H3
InChIKeySOVNHEJZXZZJDP-UHFFFAOYSA-N
MW297.96 g/mol
LogP3.93
Rot. Bonds2

About ethyl 2-bromo-4,6-dichlorobenzoate

ethyl 2-bromo-4,6-dichlorobenzoate (PubChem CID 165358373) has the molecular formula C9H7BrCl2O2 and a molecular weight of 297.96 g/mol. Its IUPAC name is ethyl 2-bromo-4,6-dichlorobenzoate.

Molecular Properties

Compound Nameethyl 2-bromo-4,6-dichlorobenzoate
PubChem CID165358373
Molecular FormulaC9H7BrCl2O2
Molecular Weight297.96 g/mol
Exact Mass295.90
IUPAC Nameethyl 2-bromo-4,6-dichlorobenzoate
SMILESCCOC(=O)c1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C9H7BrCl2O2/c1-2-14-9(13)8-6(10)3-5(11)4-7(8)12/h3-4H,2H2,1H3
InChIKeySOVNHEJZXZZJDP-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.96
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2-(bromomethyl)-4,6-dichlorobenzoate
CID 171013140
ethyl 2-bromo-4-chloro-6-(trifluoromethyl)benzoate
CID 164891172
ethyl 2-bromo-4-chloro-6-cyanobenzoate
CID 131580896
ethyl 2,4-dichloro-6-cyanobenzoate
CID 134650108
ethyl 2,4-dichloro-6-nitrobenzoate
CID 121228434
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 2,6-dichloro-4-iodobenzoate
CID 51341876
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
CID 105349729
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
3,5-dichloro-4-ethoxycarbonylbenzoic acid
CID 71062898

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4,6-dichlorobenzoate?
The IUPAC name of ethyl 2-bromo-4,6-dichlorobenzoate (CID 165358373) is ethyl 2-bromo-4,6-dichlorobenzoate.
What is the SMILES notation for ethyl 2-bromo-4,6-dichlorobenzoate?
The canonical SMILES for ethyl 2-bromo-4,6-dichlorobenzoate is CCOC(=O)c1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of ethyl 2-bromo-4,6-dichlorobenzoate?
The InChIKey is SOVNHEJZXZZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2O2/c1-2-14-9(13)8-6(10)3-5(11)4-7(8)12/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-bromo-4,6-dichlorobenzoate?
ethyl 2-bromo-4,6-dichlorobenzoate has a molecular weight of 297.96 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4,6-dichlorobenzoate is sourced from PubChem (CID 165358373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).