(3-chloro-2-fluoro-4-formylphenyl)boronic acid

C7H5BClFO3 — CID 164891758

IUPAC(3-chloro-2-fluoro-4-formylphenyl)boronic acid
SMILESO=Cc1ccc(B(O)O)c(F)c1Cl
InChIInChI=1S/C7H5BClFO3/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-3,12-13H
InChIKeyOVMPORYOCUJPFE-UHFFFAOYSA-N
MW202.38 g/mol
LogP-0.03
Rot. Bonds2

About (3-chloro-2-fluoro-4-formylphenyl)boronic acid

(3-chloro-2-fluoro-4-formylphenyl)boronic acid (PubChem CID 164891758) has the molecular formula C7H5BClFO3 and a molecular weight of 202.38 g/mol. Its IUPAC name is (3-chloro-2-fluoro-4-formylphenyl)boronic acid.

Molecular Properties

Compound Name(3-chloro-2-fluoro-4-formylphenyl)boronic acid
PubChem CID164891758
Molecular FormulaC7H5BClFO3
Molecular Weight202.38 g/mol
Exact Mass202.00
IUPAC Name(3-chloro-2-fluoro-4-formylphenyl)boronic acid
SMILESO=Cc1ccc(B(O)O)c(F)c1Cl
InChIInChI=1S/C7H5BClFO3/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-3,12-13H
InChIKeyOVMPORYOCUJPFE-UHFFFAOYSA-N
XLogP-0.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-3-fluoro-4-formylphenyl)boronic acid
CID 131676996
2-chloro-3-fluoroterephthalaldehyde
CID 87294341
3-chloro-2-fluoro-4-formylbenzoic acid
CID 164891757
2-chloro-3-fluoro-4-methylsulfanylbenzaldehyde
CID 146035038
(3-chloro-2-fluoro-4-methylphenyl)boronic acid
CID 134128504
3-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191
(5-chloro-2-fluoro-4-formylphenyl)boronic acid
CID 171366500
(2,4-dichloro-3-formylphenyl)boronic acid
CID 130058693
(2-chloro-3-formyl-5-methylphenyl)boronic acid
CID 164890745
3-chloro-4-ethyl-2-fluorobenzaldehyde
CID 178189070
(3-chloro-2-formyl-4-methylphenyl)boronic acid
CID 57497269
methyl 2-chloro-6-fluoro-3-formylbenzoate
CID 46941354

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluoro-4-formylphenyl)boronic acid?
The IUPAC name of (3-chloro-2-fluoro-4-formylphenyl)boronic acid (CID 164891758) is (3-chloro-2-fluoro-4-formylphenyl)boronic acid.
What is the SMILES notation for (3-chloro-2-fluoro-4-formylphenyl)boronic acid?
The canonical SMILES for (3-chloro-2-fluoro-4-formylphenyl)boronic acid is O=Cc1ccc(B(O)O)c(F)c1Cl.
What is the InChIKey of (3-chloro-2-fluoro-4-formylphenyl)boronic acid?
The InChIKey is OVMPORYOCUJPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BClFO3/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-3,12-13H.
What are the key properties of (3-chloro-2-fluoro-4-formylphenyl)boronic acid?
(3-chloro-2-fluoro-4-formylphenyl)boronic acid has a molecular weight of 202.38 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluoro-4-formylphenyl)boronic acid is sourced from PubChem (CID 164891758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).