(5-bromo-2,4-dichlorophenyl) acetate

C8H5BrCl2O2 — CID 70269521

IUPAC(5-bromo-2,4-dichlorophenyl) acetate
SMILESCC(=O)Oc1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C8H5BrCl2O2/c1-4(12)13-8-2-5(9)6(10)3-7(8)11/h2-3H,1H3
InChIKeyMNMCLFXMDKNCMN-UHFFFAOYSA-N
MW283.94 g/mol
LogP3.68
Rot. Bonds1

About (5-bromo-2,4-dichlorophenyl) acetate

(5-bromo-2,4-dichlorophenyl) acetate (PubChem CID 70269521) has the molecular formula C8H5BrCl2O2 and a molecular weight of 283.94 g/mol. Its IUPAC name is (5-bromo-2,4-dichlorophenyl) acetate.

Molecular Properties

Compound Name(5-bromo-2,4-dichlorophenyl) acetate
PubChem CID70269521
Molecular FormulaC8H5BrCl2O2
Molecular Weight283.94 g/mol
Exact Mass281.88
IUPAC Name(5-bromo-2,4-dichlorophenyl) acetate
SMILESCC(=O)Oc1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C8H5BrCl2O2/c1-4(12)13-8-2-5(9)6(10)3-7(8)11/h2-3H,1H3
InChIKeyMNMCLFXMDKNCMN-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.94
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-bromo-2,4-dichlorophenyl) 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

(2-acetyloxy-4-bromo-5-carbonochloridoylphenyl) acetate
CID 15173675
(3-chloro-2,5-dimethylphenyl) acetate
CID 175455570
(4-chloro-2,5-dimethoxyphenyl) acetate
CID 165356212
(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
CID 54379718
(2-chloro-5-ethylphenyl) acetate
CID 142057542
(2,6-dibromo-4-hydroxyphenyl) acetate
CID 70199950
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,4-dichlorophenyl) acetate?
The IUPAC name of (5-bromo-2,4-dichlorophenyl) acetate (CID 70269521) is (5-bromo-2,4-dichlorophenyl) acetate.
What is the SMILES notation for (5-bromo-2,4-dichlorophenyl) acetate?
The canonical SMILES for (5-bromo-2,4-dichlorophenyl) acetate is CC(=O)Oc1cc(Br)c(Cl)cc1Cl.
What is the InChIKey of (5-bromo-2,4-dichlorophenyl) acetate?
The InChIKey is MNMCLFXMDKNCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O2/c1-4(12)13-8-2-5(9)6(10)3-7(8)11/h2-3H,1H3.
What are the key properties of (5-bromo-2,4-dichlorophenyl) acetate?
(5-bromo-2,4-dichlorophenyl) acetate has a molecular weight of 283.94 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,4-dichlorophenyl) acetate is sourced from PubChem (CID 70269521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).