ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate

C11H10BrClO3 — CID 171006746

IUPACethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc(C=O)c1Br
InChIInChI=1S/C11H10BrClO3/c1-2-16-10(15)5-8-9(13)4-3-7(6-14)11(8)12/h3-4,6H,2,5H2,1H3
InChIKeyPNPVTFDXIZFVDC-UHFFFAOYSA-N
MW305.56 g/mol
LogP3.02
Rot. Bonds4

About ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate

ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate (PubChem CID 171006746) has the molecular formula C11H10BrClO3 and a molecular weight of 305.56 g/mol. Its IUPAC name is ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate
PubChem CID171006746
Molecular FormulaC11H10BrClO3
Molecular Weight305.56 g/mol
Exact Mass303.95
IUPAC Nameethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc(C=O)c1Br
InChIInChI=1S/C11H10BrClO3/c1-2-16-10(15)5-8-9(13)4-3-7(6-14)11(8)12/h3-4,6H,2,5H2,1H3
InChIKeyPNPVTFDXIZFVDC-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(2-bromo-3-cyano-6-formylphenyl)acetate
CID 146675915
ethyl 2-(2-bromo-4-chloro-5-formylphenyl)acetate
CID 171006656
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate
CID 171006294
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 2-(2,5-dichloro-4-formylphenyl)acetate
CID 171006251
ethyl 2-(5-chloro-4-fluoro-2-formylphenyl)acetate
CID 171005424
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 2-(2-bromo-6-formyl-4-methoxyphenyl)acetate
CID 171010001
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 6-chloro-3-formyl-2-methylbenzoate
CID 171006023
ethyl 2-(4-bromo-5-formyl-2-methylphenyl)acetate
CID 171010282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate (CID 171006746) is ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate is CCOC(=O)Cc1c(Cl)ccc(C=O)c1Br.
What is the InChIKey of ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate?
The InChIKey is PNPVTFDXIZFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO3/c1-2-16-10(15)5-8-9(13)4-3-7(6-14)11(8)12/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate?
ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate has a molecular weight of 305.56 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate is sourced from PubChem (CID 171006746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).