3,4-dibromobenzene-1,2-dicarbonyl chloride

C8H2Br2Cl2O2 — CID 101290918

IUPAC3,4-dibromobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Br)c(Br)c1C(=O)Cl
InChIInChI=1S/C8H2Br2Cl2O2/c9-4-2-1-3(7(11)13)5(6(4)10)8(12)14/h1-2H
InChIKeyJGVFRQKVSHCRMM-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.97
Rot. Bonds2

About 3,4-dibromobenzene-1,2-dicarbonyl chloride

3,4-dibromobenzene-1,2-dicarbonyl chloride (PubChem CID 101290918) has the molecular formula C8H2Br2Cl2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 3,4-dibromobenzene-1,2-dicarbonyl chloride.

Molecular Properties

Compound Name3,4-dibromobenzene-1,2-dicarbonyl chloride
PubChem CID101290918
Molecular FormulaC8H2Br2Cl2O2
Molecular Weight360.82 g/mol
Exact Mass357.78
IUPAC Name3,4-dibromobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Br)c(Br)c1C(=O)Cl
InChIInChI=1S/C8H2Br2Cl2O2/c9-4-2-1-3(7(11)13)5(6(4)10)8(12)14/h1-2H
InChIKeyJGVFRQKVSHCRMM-UHFFFAOYSA-N
XLogP3.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromobenzene-1,2-dicarbonyl chloride
CID 87748694
2,4,6-tribromobenzene-1,3-dicarbonyl chloride
CID 101290944
2,3,6-tribromobenzoic acid
CID 10948351
benzene-1,2,3,4,5-pentacarbonyl chloride
CID 141287344
3-bromo-2,6-dichlorobenzoyl chloride
CID 171032868
4-bromobenzene-1,3-dicarbonyl chloride
CID 13040870
2-bromobenzene-1,4-dicarbonyl chloride
CID 13431541
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
4-bromobenzene-1,2-dicarbonyl chloride
CID 14784692
6-bromo-2-chloro-3-fluorobenzoyl chloride
CID 129080978
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromobenzene-1,2-dicarbonyl chloride?
The IUPAC name of 3,4-dibromobenzene-1,2-dicarbonyl chloride (CID 101290918) is 3,4-dibromobenzene-1,2-dicarbonyl chloride.
What is the SMILES notation for 3,4-dibromobenzene-1,2-dicarbonyl chloride?
The canonical SMILES for 3,4-dibromobenzene-1,2-dicarbonyl chloride is O=C(Cl)c1ccc(Br)c(Br)c1C(=O)Cl.
What is the InChIKey of 3,4-dibromobenzene-1,2-dicarbonyl chloride?
The InChIKey is JGVFRQKVSHCRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Br2Cl2O2/c9-4-2-1-3(7(11)13)5(6(4)10)8(12)14/h1-2H.
What are the key properties of 3,4-dibromobenzene-1,2-dicarbonyl chloride?
3,4-dibromobenzene-1,2-dicarbonyl chloride has a molecular weight of 360.82 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromobenzene-1,2-dicarbonyl chloride is sourced from PubChem (CID 101290918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).