boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene

C6H5BCl2O3 — CID 70153926

IUPACboric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESClc1c2ccc-2c1Cl.OB(O)O
InChIInChI=1S/C6H2Cl2.BH3O3/c7-5-3-1-2-4(3)6(5)8;2-1(3)4/h1-2H;2-4H
InChIKeyLGECHWOMEXRZLT-UHFFFAOYSA-N
MW206.82 g/mol
LogP0.92
Rot. Bonds

About boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene

boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 70153926) has the molecular formula C6H5BCl2O3 and a molecular weight of 206.82 g/mol. Its IUPAC name is boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameboric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID70153926
Molecular FormulaC6H5BCl2O3
Molecular Weight206.82 g/mol
Exact Mass205.97
IUPAC Nameboric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESClc1c2ccc-2c1Cl.OB(O)O
InChIInChI=1S/C6H2Cl2.BH3O3/c7-5-3-1-2-4(3)6(5)8;2-1(3)4/h1-2H;2-4H
InChIKeyLGECHWOMEXRZLT-UHFFFAOYSA-N
XLogP0.92
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.82
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene (CID 70153926) is boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene is Clc1c2ccc-2c1Cl.OB(O)O.
What is the InChIKey of boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is LGECHWOMEXRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2.BH3O3/c7-5-3-1-2-4(3)6(5)8;2-1(3)4/h1-2H;2-4H.
What are the key properties of boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene?
boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 206.82 g/mol, XLogP of 0.92, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,3-dichlorobicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 70153926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).