(4-chlorophenyl)-phenylborinic acid

C12H10BClO — CID 71660116

IUPAC(4-chlorophenyl)-phenylborinic acid
SMILESOB(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10BClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,15H
InChIKeyFQOCWSQTTSRMGJ-UHFFFAOYSA-N
MW216.48 g/mol
LogP1.44
Rot. Bonds2

About (4-chlorophenyl)-phenylborinic acid

(4-chlorophenyl)-phenylborinic acid (PubChem CID 71660116) has the molecular formula C12H10BClO and a molecular weight of 216.48 g/mol. Its IUPAC name is (4-chlorophenyl)-phenylborinic acid.

Molecular Properties

Compound Name(4-chlorophenyl)-phenylborinic acid
PubChem CID71660116
Molecular FormulaC12H10BClO
Molecular Weight216.48 g/mol
Exact Mass216.05
IUPAC Name(4-chlorophenyl)-phenylborinic acid
SMILESOB(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10BClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,15H
InChIKeyFQOCWSQTTSRMGJ-UHFFFAOYSA-N
XLogP1.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorophenylboronic acid
CID 74299
(3-Chlorophenyl)boronic acid
CID 2734323
Diphenylborinic acid
CID 17498
(2,4-Dichlorophenyl)boronic acid
CID 2734659
Bis(p-chlorophenyl) diselenide
CID 88583
3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)
CID 2734660
2-Chlorophenylboronic acid
CID 2734322
2,6-Dichlorobenzeneboronic acid
CID 2734332
2,5-Dichlorobenzeneboronic acid
CID 2773371
2-Chloro-6-fluorophenylboronic acid
CID 3549395
(5-Chloro-2-fluoro-phenyl)boronic acid
CID 3718925
(4-Chloro-2-fluorophenyl)boronic acid
CID 4193595

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-phenylborinic acid?
The IUPAC name of (4-chlorophenyl)-phenylborinic acid (CID 71660116) is (4-chlorophenyl)-phenylborinic acid.
What is the SMILES notation for (4-chlorophenyl)-phenylborinic acid?
The canonical SMILES for (4-chlorophenyl)-phenylborinic acid is OB(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-phenylborinic acid?
The InChIKey is FQOCWSQTTSRMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,15H.
What are the key properties of (4-chlorophenyl)-phenylborinic acid?
(4-chlorophenyl)-phenylborinic acid has a molecular weight of 216.48 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-phenylborinic acid is sourced from PubChem (CID 71660116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).