CID 23030328

C6H4BCl2O2 — CID 23030328

IUPAC—
SMILESClc1c2ccc-2c1Cl.O[B]O
InChIInChI=1S/C6H2Cl2.BH2O2/c7-5-3-1-2-4(3)6(5)8;2-1-3/h1-2H;2-3H
InChIKeyQUDVMQWOIMXRAS-UHFFFAOYSA-N
MW189.81 g/mol
LogP1.48
Rot. Bonds

About CID 23030328

CID 23030328 (PubChem CID 23030328) has the molecular formula C6H4BCl2O2 and a molecular weight of 189.81 g/mol.

Molecular Properties

Compound NameCID 23030328
PubChem CID23030328
Molecular FormulaC6H4BCl2O2
Molecular Weight189.81 g/mol
Exact Mass188.97
IUPAC Name—
SMILESClc1c2ccc-2c1Cl.O[B]O
InChIInChI=1S/C6H2Cl2.BH2O2/c7-5-3-1-2-4(3)6(5)8;2-1-3/h1-2H;2-3H
InChIKeyQUDVMQWOIMXRAS-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
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 CID 23030328?
The IUPAC name of CID 23030328 (CID 23030328) is not available.
What is the SMILES notation for CID 23030328?
The canonical SMILES for CID 23030328 is Clc1c2ccc-2c1Cl.O[B]O.
What is the InChIKey of CID 23030328?
The InChIKey is QUDVMQWOIMXRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2.BH2O2/c7-5-3-1-2-4(3)6(5)8;2-1-3/h1-2H;2-3H.
What are the key properties of CID 23030328?
CID 23030328 has a molecular weight of 189.81 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23030328 is sourced from PubChem (CID 23030328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).