2-bromobenzene-1,4-dicarbonyl chloride

C8H3BrCl2O2 — CID 13431541

IUPAC2-bromobenzene-1,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(C(=O)Cl)c(Br)c1
InChIInChI=1S/C8H3BrCl2O2/c9-6-3-4(7(10)12)1-2-5(6)8(11)13/h1-3H
InChIKeyZGKHHCNVAMHURP-UHFFFAOYSA-N
MW281.92 g/mol
LogP3.21
Rot. Bonds2

About 2-bromobenzene-1,4-dicarbonyl chloride

2-bromobenzene-1,4-dicarbonyl chloride (PubChem CID 13431541) has the molecular formula C8H3BrCl2O2 and a molecular weight of 281.92 g/mol. Its IUPAC name is 2-bromobenzene-1,4-dicarbonyl chloride.

Molecular Properties

Compound Name2-bromobenzene-1,4-dicarbonyl chloride
PubChem CID13431541
Molecular FormulaC8H3BrCl2O2
Molecular Weight281.92 g/mol
Exact Mass279.87
IUPAC Name2-bromobenzene-1,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(C(=O)Cl)c(Br)c1
InChIInChI=1S/C8H3BrCl2O2/c9-6-3-4(7(10)12)1-2-5(6)8(11)13/h1-3H
InChIKeyZGKHHCNVAMHURP-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

4-bromobenzene-1,3-dicarbonyl chloride
CID 13040870
2-bromo-4-(3-chloropropanoyl)benzoyl chloride
CID 134619224
4-carbonochloridoylphthalic acid
CID 15105982
2-ethylbenzene-1,4-dicarbonyl chloride
CID 19915511
2-bromoterephthalic acid;dihydrochloride
CID 175123722
4-fluorobenzene-1,3-dicarbonyl chloride
CID 21419886
2-propan-2-ylbenzene-1,4-dicarbonyl chloride
CID 139767671
methyl 2,5-dicarbonochloridoylbenzoate
CID 54490915
2-bromo-4-(3-bromopropyl)benzoyl chloride
CID 134619218
4-bromobenzene-1,2-dicarbonyl chloride
CID 14784692
biphenylene-2,7-dicarbonyl chloride
CID 59041868
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555

Frequently Asked Questions

What is the IUPAC name of 2-bromobenzene-1,4-dicarbonyl chloride?
The IUPAC name of 2-bromobenzene-1,4-dicarbonyl chloride (CID 13431541) is 2-bromobenzene-1,4-dicarbonyl chloride.
What is the SMILES notation for 2-bromobenzene-1,4-dicarbonyl chloride?
The canonical SMILES for 2-bromobenzene-1,4-dicarbonyl chloride is O=C(Cl)c1ccc(C(=O)Cl)c(Br)c1.
What is the InChIKey of 2-bromobenzene-1,4-dicarbonyl chloride?
The InChIKey is ZGKHHCNVAMHURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2O2/c9-6-3-4(7(10)12)1-2-5(6)8(11)13/h1-3H.
What are the key properties of 2-bromobenzene-1,4-dicarbonyl chloride?
2-bromobenzene-1,4-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 2-bromobenzene-1,4-dicarbonyl chloride is sourced from PubChem (CID 13431541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).