acetyl bromide;2-chloroacetyl chloride

C4H5BrCl2O2 — CID 88646573

IUPACacetyl bromide;2-chloroacetyl chloride
SMILESCC(=O)Br.O=C(Cl)CCl
InChIInChI=1S/C2H3BrO.C2H2Cl2O/c1-2(3)4;3-1-2(4)5/h1H3;1H2
InChIKeyMEVKERPKWWFWOP-UHFFFAOYSA-N
MW235.89 g/mol
LogP1.92
Rot. Bonds1

About acetyl bromide;2-chloroacetyl chloride

acetyl bromide;2-chloroacetyl chloride (PubChem CID 88646573) has the molecular formula C4H5BrCl2O2 and a molecular weight of 235.89 g/mol. Its IUPAC name is acetyl bromide;2-chloroacetyl chloride.

Molecular Properties

Compound Nameacetyl bromide;2-chloroacetyl chloride
PubChem CID88646573
Molecular FormulaC4H5BrCl2O2
Molecular Weight235.89 g/mol
Exact Mass233.88
IUPAC Nameacetyl bromide;2-chloroacetyl chloride
SMILESCC(=O)Br.O=C(Cl)CCl
InChIInChI=1S/C2H3BrO.C2H2Cl2O/c1-2(3)4;3-1-2(4)5/h1H3;1H2
InChIKeyMEVKERPKWWFWOP-UHFFFAOYSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.89
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyl bromide;2-chloroacetyl chloride?
The IUPAC name of acetyl bromide;2-chloroacetyl chloride (CID 88646573) is acetyl bromide;2-chloroacetyl chloride.
What is the SMILES notation for acetyl bromide;2-chloroacetyl chloride?
The canonical SMILES for acetyl bromide;2-chloroacetyl chloride is CC(=O)Br.O=C(Cl)CCl.
What is the InChIKey of acetyl bromide;2-chloroacetyl chloride?
The InChIKey is MEVKERPKWWFWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrO.C2H2Cl2O/c1-2(3)4;3-1-2(4)5/h1H3;1H2.
What are the key properties of acetyl bromide;2-chloroacetyl chloride?
acetyl bromide;2-chloroacetyl chloride has a molecular weight of 235.89 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl bromide;2-chloroacetyl chloride is sourced from PubChem (CID 88646573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).