6-bromo-3-chloro-2-fluorobenzoyl chloride

C7H2BrCl2FO — CID 83409619

IUPAC6-bromo-3-chloro-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H2BrCl2FO/c8-3-1-2-4(9)6(11)5(3)7(10)12/h1-2H
InChIKeyFUUSXGTVGCQSOM-UHFFFAOYSA-N
MW271.90 g/mol
LogP3.62
Rot. Bonds1

About 6-bromo-3-chloro-2-fluorobenzoyl chloride

6-bromo-3-chloro-2-fluorobenzoyl chloride (PubChem CID 83409619) has the molecular formula C7H2BrCl2FO and a molecular weight of 271.90 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name6-bromo-3-chloro-2-fluorobenzoyl chloride
PubChem CID83409619
Molecular FormulaC7H2BrCl2FO
Molecular Weight271.90 g/mol
Exact Mass269.87
IUPAC Name6-bromo-3-chloro-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H2BrCl2FO/c8-3-1-2-4(9)6(11)5(3)7(10)12/h1-2H
InChIKeyFUUSXGTVGCQSOM-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.90
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-fluorobenzoyl chloride?
The IUPAC name of 6-bromo-3-chloro-2-fluorobenzoyl chloride (CID 83409619) is 6-bromo-3-chloro-2-fluorobenzoyl chloride.
What is the SMILES notation for 6-bromo-3-chloro-2-fluorobenzoyl chloride?
The canonical SMILES for 6-bromo-3-chloro-2-fluorobenzoyl chloride is O=C(Cl)c1c(Br)ccc(Cl)c1F.
What is the InChIKey of 6-bromo-3-chloro-2-fluorobenzoyl chloride?
The InChIKey is FUUSXGTVGCQSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2FO/c8-3-1-2-4(9)6(11)5(3)7(10)12/h1-2H.
What are the key properties of 6-bromo-3-chloro-2-fluorobenzoyl chloride?
6-bromo-3-chloro-2-fluorobenzoyl chloride has a molecular weight of 271.90 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-fluorobenzoyl chloride is sourced from PubChem (CID 83409619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).