(2-chlorophenyl)-methoxyborinic acid

C7H8BClO2 — CID 90464358

IUPAC(2-chlorophenyl)-methoxyborinic acid
SMILESCOB(O)c1ccccc1Cl
InChIInChI=1S/C7H8BClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,10H,1H3
InChIKeyBLDJGTCPZUPCGB-UHFFFAOYSA-N
MW170.40 g/mol
LogP0.67
Rot. Bonds2

About (2-chlorophenyl)-methoxyborinic acid

(2-chlorophenyl)-methoxyborinic acid (PubChem CID 90464358) has the molecular formula C7H8BClO2 and a molecular weight of 170.40 g/mol. Its IUPAC name is (2-chlorophenyl)-methoxyborinic acid.

Molecular Properties

Compound Name(2-chlorophenyl)-methoxyborinic acid
PubChem CID90464358
Molecular FormulaC7H8BClO2
Molecular Weight170.40 g/mol
Exact Mass170.03
IUPAC Name(2-chlorophenyl)-methoxyborinic acid
SMILESCOB(O)c1ccccc1Cl
InChIInChI=1S/C7H8BClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,10H,1H3
InChIKeyBLDJGTCPZUPCGB-UHFFFAOYSA-N
XLogP0.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-methoxyborinic acid?
The IUPAC name of (2-chlorophenyl)-methoxyborinic acid (CID 90464358) is (2-chlorophenyl)-methoxyborinic acid.
What is the SMILES notation for (2-chlorophenyl)-methoxyborinic acid?
The canonical SMILES for (2-chlorophenyl)-methoxyborinic acid is COB(O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-methoxyborinic acid?
The InChIKey is BLDJGTCPZUPCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,10H,1H3.
What are the key properties of (2-chlorophenyl)-methoxyborinic acid?
(2-chlorophenyl)-methoxyborinic acid has a molecular weight of 170.40 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-methoxyborinic acid is sourced from PubChem (CID 90464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).