(2,4-dichloro-3-formylphenyl)boronic acid

C7H5BCl2O3 — CID 130058693

IUPAC(2,4-dichloro-3-formylphenyl)boronic acid
SMILESO=Cc1c(Cl)ccc(B(O)O)c1Cl
InChIInChI=1S/C7H5BCl2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H
InChIKeyDQFBKQDSBHKEAL-UHFFFAOYSA-N
MW218.83 g/mol
LogP0.49
Rot. Bonds2

About (2,4-dichloro-3-formylphenyl)boronic acid

(2,4-dichloro-3-formylphenyl)boronic acid (PubChem CID 130058693) has the molecular formula C7H5BCl2O3 and a molecular weight of 218.83 g/mol. Its IUPAC name is (2,4-dichloro-3-formylphenyl)boronic acid.

Molecular Properties

Compound Name(2,4-dichloro-3-formylphenyl)boronic acid
PubChem CID130058693
Molecular FormulaC7H5BCl2O3
Molecular Weight218.83 g/mol
Exact Mass217.97
IUPAC Name(2,4-dichloro-3-formylphenyl)boronic acid
SMILESO=Cc1c(Cl)ccc(B(O)O)c1Cl
InChIInChI=1S/C7H5BCl2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H
InChIKeyDQFBKQDSBHKEAL-UHFFFAOYSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.83
LogP ≤ 50.49
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

(3-chloro-2-formyl-4-methylphenyl)boronic acid
CID 57497269
(2-chloro-3-fluoro-4-formylphenyl)boronic acid
CID 131676996
2,6-dichloro-3-ethylbenzaldehyde
CID 86691282
(3-chloro-2-fluoro-4-formylphenyl)boronic acid
CID 164891758
(2-chloro-4-formylphenyl)boronic acid
CID 53216420
(4-chloro-1-formylnaphthalen-2-yl)boronic acid
CID 89391808
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-acetyl-6-chloro-3-methylbenzaldehyde
CID 171004106
6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde
CID 105454924
(2-tert-butyl-3,4-dichlorophenyl)boronic acid
CID 174006765
2,3,5-trichloroterephthalaldehyde
CID 154087968
6-chloro-2-methyl-3-nitrobenzaldehyde
CID 130848770

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3-formylphenyl)boronic acid?
The IUPAC name of (2,4-dichloro-3-formylphenyl)boronic acid (CID 130058693) is (2,4-dichloro-3-formylphenyl)boronic acid.
What is the SMILES notation for (2,4-dichloro-3-formylphenyl)boronic acid?
The canonical SMILES for (2,4-dichloro-3-formylphenyl)boronic acid is O=Cc1c(Cl)ccc(B(O)O)c1Cl.
What is the InChIKey of (2,4-dichloro-3-formylphenyl)boronic acid?
The InChIKey is DQFBKQDSBHKEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BCl2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H.
What are the key properties of (2,4-dichloro-3-formylphenyl)boronic acid?
(2,4-dichloro-3-formylphenyl)boronic acid has a molecular weight of 218.83 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3-formylphenyl)boronic acid is sourced from PubChem (CID 130058693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).