4-bromobenzene-1,2-dicarbonyl chloride

C8H3BrCl2O2 — CID 14784692

IUPAC4-bromobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Br)cc1C(=O)Cl
InChIInChI=1S/C8H3BrCl2O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H
InChIKeyZDHRIZIHKJEMQD-UHFFFAOYSA-N
MW281.92 g/mol
LogP3.21
Rot. Bonds2

About 4-bromobenzene-1,2-dicarbonyl chloride

4-bromobenzene-1,2-dicarbonyl chloride (PubChem CID 14784692) has the molecular formula C8H3BrCl2O2 and a molecular weight of 281.92 g/mol. Its IUPAC name is 4-bromobenzene-1,2-dicarbonyl chloride.

Molecular Properties

Compound Name4-bromobenzene-1,2-dicarbonyl chloride
PubChem CID14784692
Molecular FormulaC8H3BrCl2O2
Molecular Weight281.92 g/mol
Exact Mass279.87
IUPAC Name4-bromobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Br)cc1C(=O)Cl
InChIInChI=1S/C8H3BrCl2O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H
InChIKeyZDHRIZIHKJEMQD-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.92
LogP ≤ 53.21
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

Phthaloyl chloride
CID 6955
6-Bromo-1,2-naphthoquinone
CID 23384
4-Bromobenzoyl chloride
CID 68515
Benzoyl chloride, 3-bromo-
CID 74377
4-Bromo-2-fluorobenzoyl chloride
CID 2734026
7-bromo-3-oxo-4H-naphthalene-2-carbonyl chloride
CID 44347923
Benzeneacetyl chloride, 4-bromo-
CID 181552
(3-Bromophenyl)acetyl chloride
CID 13486899
3-Bromo-4-fluorobenzoyl chloride
CID 69598
5-Bromo-2-iodobenzoyl chloride
CID 4568112
5-Bromo-1,3-benzenedicarbonyl dichloride
CID 15320483
2-Bromobenzene-1,4-dicarbonyl dichloride
CID 13431541

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzene-1,2-dicarbonyl chloride?
The IUPAC name of 4-bromobenzene-1,2-dicarbonyl chloride (CID 14784692) is 4-bromobenzene-1,2-dicarbonyl chloride.
What is the SMILES notation for 4-bromobenzene-1,2-dicarbonyl chloride?
The canonical SMILES for 4-bromobenzene-1,2-dicarbonyl chloride is O=C(Cl)c1ccc(Br)cc1C(=O)Cl.
What is the InChIKey of 4-bromobenzene-1,2-dicarbonyl chloride?
The InChIKey is ZDHRIZIHKJEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H.
What are the key properties of 4-bromobenzene-1,2-dicarbonyl chloride?
4-bromobenzene-1,2-dicarbonyl chloride has a molecular weight of 281.92 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzene-1,2-dicarbonyl chloride is sourced from PubChem (CID 14784692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).