(6-bromo-2-chloro-3-fluorophenyl)boronic acid

C6H4BBrClFO2 — CID 44558199

IUPAC(6-bromo-2-chloro-3-fluorophenyl)boronic acid
SMILESOB(O)c1c(Br)ccc(F)c1Cl
InChIInChI=1S/C6H4BBrClFO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,11-12H
InChIKeyUZVHXMRCLCPFSS-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.92
Rot. Bonds1

About (6-bromo-2-chloro-3-fluorophenyl)boronic acid

(6-bromo-2-chloro-3-fluorophenyl)boronic acid (PubChem CID 44558199) has the molecular formula C6H4BBrClFO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (6-bromo-2-chloro-3-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(6-bromo-2-chloro-3-fluorophenyl)boronic acid
PubChem CID44558199
Molecular FormulaC6H4BBrClFO2
Molecular Weight253.26 g/mol
Exact Mass251.92
IUPAC Name(6-bromo-2-chloro-3-fluorophenyl)boronic acid
SMILESOB(O)c1c(Br)ccc(F)c1Cl
InChIInChI=1S/C6H4BBrClFO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,11-12H
InChIKeyUZVHXMRCLCPFSS-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-3-fluoro-6-methylphenyl)boronic acid
CID 155905903
6-bromo-2-chloro-3-fluorobenzoyl chloride
CID 129080978
(3-bromo-2-ethoxy-6-fluorophenyl)boronic acid
CID 44558166
1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
CID 131574460
3-borono-4-bromo-2-fluorobenzoic acid
CID 162421087
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
(3-bromo-5-chloro-2,6-difluorophenyl)boronic acid
CID 74892414
1-bromo-2-chloro-3-ethynyl-4-fluorobenzene
CID 122237292
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
(2-bromo-4-chlorophenyl)boronic acid
CID 74892425
2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
CID 171366034

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-chloro-3-fluorophenyl)boronic acid?
The IUPAC name of (6-bromo-2-chloro-3-fluorophenyl)boronic acid (CID 44558199) is (6-bromo-2-chloro-3-fluorophenyl)boronic acid.
What is the SMILES notation for (6-bromo-2-chloro-3-fluorophenyl)boronic acid?
The canonical SMILES for (6-bromo-2-chloro-3-fluorophenyl)boronic acid is OB(O)c1c(Br)ccc(F)c1Cl.
What is the InChIKey of (6-bromo-2-chloro-3-fluorophenyl)boronic acid?
The InChIKey is UZVHXMRCLCPFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BBrClFO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,11-12H.
What are the key properties of (6-bromo-2-chloro-3-fluorophenyl)boronic acid?
(6-bromo-2-chloro-3-fluorophenyl)boronic acid has a molecular weight of 253.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-chloro-3-fluorophenyl)boronic acid is sourced from PubChem (CID 44558199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).