(2,3-dichlorophenyl) 2-bromoacetate

C8H5BrCl2O2 — CID 91723900

IUPAC(2,3-dichlorophenyl) 2-bromoacetate
SMILESO=C(CBr)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5BrCl2O2/c9-4-7(12)13-6-3-1-2-5(10)8(6)11/h1-3H,4H2
InChIKeyHCKKPJNAICPLIZ-UHFFFAOYSA-N
MW283.94 g/mol
LogP3.29
Rot. Bonds2

About (2,3-dichlorophenyl) 2-bromoacetate

(2,3-dichlorophenyl) 2-bromoacetate (PubChem CID 91723900) has the molecular formula C8H5BrCl2O2 and a molecular weight of 283.94 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 2-bromoacetate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 2-bromoacetate
PubChem CID91723900
Molecular FormulaC8H5BrCl2O2
Molecular Weight283.94 g/mol
Exact Mass281.88
IUPAC Name(2,3-dichlorophenyl) 2-bromoacetate
SMILESO=C(CBr)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5BrCl2O2/c9-4-7(12)13-6-3-1-2-5(10)8(6)11/h1-3H,4H2
InChIKeyHCKKPJNAICPLIZ-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.94
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-O-(2,3-dichlorophenyl) 1-O-phenyl butanedioate
CID 91726923
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
1-O-(2,3-dichlorophenyl) 4-O-hepta-1,6-dien-4-yl butanedioate
CID 91700726
1-O-(2,3-dichlorophenyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91738261
(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate
CID 174964447
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
(2,3-dichlorophenyl) 4-ethylbenzoate
CID 91714670
5-O-(2,3-dichlorophenyl) 1-O-pentyl pentanedioate
CID 91708768
1-O-(2,3-dichlorophenyl) 4-O-hexan-2-yl butanedioate
CID 91702718
5-O-(2,3-dichlorophenyl) 1-O-octyl pentanedioate
CID 91706953
5-O-(2,3-dichlorophenyl) 1-O-nonyl pentanedioate
CID 91709298

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 2-bromoacetate?
The IUPAC name of (2,3-dichlorophenyl) 2-bromoacetate (CID 91723900) is (2,3-dichlorophenyl) 2-bromoacetate.
What is the SMILES notation for (2,3-dichlorophenyl) 2-bromoacetate?
The canonical SMILES for (2,3-dichlorophenyl) 2-bromoacetate is O=C(CBr)Oc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl) 2-bromoacetate?
The InChIKey is HCKKPJNAICPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O2/c9-4-7(12)13-6-3-1-2-5(10)8(6)11/h1-3H,4H2.
What are the key properties of (2,3-dichlorophenyl) 2-bromoacetate?
(2,3-dichlorophenyl) 2-bromoacetate has a molecular weight of 283.94 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 2-bromoacetate is sourced from PubChem (CID 91723900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).