5-bromo-2,3-dichlorobenzoyl chloride

C7H2BrCl3O — CID 171032872

IUPAC5-bromo-2,3-dichlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Br)cc(Cl)c1Cl
InChIInChI=1S/C7H2BrCl3O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H
InChIKeyMUAPGEGFRQIQEL-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.13
Rot. Bonds1

About 5-bromo-2,3-dichlorobenzoyl chloride

5-bromo-2,3-dichlorobenzoyl chloride (PubChem CID 171032872) has the molecular formula C7H2BrCl3O and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-bromo-2,3-dichlorobenzoyl chloride.

Molecular Properties

Compound Name5-bromo-2,3-dichlorobenzoyl chloride
PubChem CID171032872
Molecular FormulaC7H2BrCl3O
Molecular Weight288.36 g/mol
Exact Mass285.84
IUPAC Name5-bromo-2,3-dichlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Br)cc(Cl)c1Cl
InChIInChI=1S/C7H2BrCl3O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H
InChIKeyMUAPGEGFRQIQEL-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
5-bromo-2-chloro-3-methylbenzoyl chloride
CID 51000143
5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride
CID 151998329
4-bromobenzene-1,2-dicarbonyl chloride
CID 14784692
3,5-dibromo-2-methylbenzoyl chloride
CID 171002957
5-bromo-3-carbonochloridoyl-2-fluorobenzoic acid
CID 144713812
2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
CID 171009449
2-amino-5-bromo-3-chlorobenzoate
CID 6948109
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride
CID 116739951
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dichlorobenzoyl chloride?
The IUPAC name of 5-bromo-2,3-dichlorobenzoyl chloride (CID 171032872) is 5-bromo-2,3-dichlorobenzoyl chloride.
What is the SMILES notation for 5-bromo-2,3-dichlorobenzoyl chloride?
The canonical SMILES for 5-bromo-2,3-dichlorobenzoyl chloride is O=C(Cl)c1cc(Br)cc(Cl)c1Cl.
What is the InChIKey of 5-bromo-2,3-dichlorobenzoyl chloride?
The InChIKey is MUAPGEGFRQIQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl3O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H.
What are the key properties of 5-bromo-2,3-dichlorobenzoyl chloride?
5-bromo-2,3-dichlorobenzoyl chloride has a molecular weight of 288.36 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dichlorobenzoyl chloride is sourced from PubChem (CID 171032872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).