3-bromo-2,6-dichlorobenzoyl chloride

C7H2BrCl3O — CID 171032868

IUPAC3-bromo-2,6-dichlorobenzoyl chloride
SMILESO=C(Cl)c1c(Cl)ccc(Br)c1Cl
InChIInChI=1S/C7H2BrCl3O/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H
InChIKeyMDOXGOAFYMLQJN-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.13
Rot. Bonds1

About 3-bromo-2,6-dichlorobenzoyl chloride

3-bromo-2,6-dichlorobenzoyl chloride (PubChem CID 171032868) has the molecular formula C7H2BrCl3O and a molecular weight of 288.36 g/mol. Its IUPAC name is 3-bromo-2,6-dichlorobenzoyl chloride.

Molecular Properties

Compound Name3-bromo-2,6-dichlorobenzoyl chloride
PubChem CID171032868
Molecular FormulaC7H2BrCl3O
Molecular Weight288.36 g/mol
Exact Mass285.84
IUPAC Name3-bromo-2,6-dichlorobenzoyl chloride
SMILESO=C(Cl)c1c(Cl)ccc(Br)c1Cl
InChIInChI=1S/C7H2BrCl3O/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H
InChIKeyMDOXGOAFYMLQJN-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

6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822
1-(3-bromo-2,6-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-one
CID 171367690
6-bromo-2-chloro-3-fluorobenzoyl chloride
CID 129080978
2,4,6-trichlorobenzene-1,3-dicarbonyl chloride
CID 101290942
3-bromo-2-chloro-6-(difluoromethyl)benzoic acid
CID 131362271
4-bromo-3-chloropyridine-2-carbonyl chloride
CID 150388964
6-chloro-2,3-difluorobenzoyl chloride
CID 50998364
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
3,4-dibromobenzene-1,2-dicarbonyl chloride
CID 101290918
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride
CID 162720087

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dichlorobenzoyl chloride?
The IUPAC name of 3-bromo-2,6-dichlorobenzoyl chloride (CID 171032868) is 3-bromo-2,6-dichlorobenzoyl chloride.
What is the SMILES notation for 3-bromo-2,6-dichlorobenzoyl chloride?
The canonical SMILES for 3-bromo-2,6-dichlorobenzoyl chloride is O=C(Cl)c1c(Cl)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2,6-dichlorobenzoyl chloride?
The InChIKey is MDOXGOAFYMLQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl3O/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H.
What are the key properties of 3-bromo-2,6-dichlorobenzoyl chloride?
3-bromo-2,6-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 3-bromo-2,6-dichlorobenzoyl chloride is sourced from PubChem (CID 171032868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).