benzoyloxy(chlorooxy)borinic acid

C7H6BClO4 — CID 174976696

IUPACbenzoyloxy(chlorooxy)borinic acid
SMILESO=C(OB(O)OCl)c1ccccc1
InChIInChI=1S/C7H6BClO4/c9-13-8(11)12-7(10)6-4-2-1-3-5-6/h1-5,11H
InChIKeyXBJBUBYAZUNFAG-UHFFFAOYSA-N
MW200.39 g/mol
LogP0.99
Rot. Bonds3

About benzoyloxy(chlorooxy)borinic acid

benzoyloxy(chlorooxy)borinic acid (PubChem CID 174976696) has the molecular formula C7H6BClO4 and a molecular weight of 200.39 g/mol. Its IUPAC name is benzoyloxy(chlorooxy)borinic acid.

Molecular Properties

Compound Namebenzoyloxy(chlorooxy)borinic acid
PubChem CID174976696
Molecular FormulaC7H6BClO4
Molecular Weight200.39 g/mol
Exact Mass200.00
IUPAC Namebenzoyloxy(chlorooxy)borinic acid
SMILESO=C(OB(O)OCl)c1ccccc1
InChIInChI=1S/C7H6BClO4/c9-13-8(11)12-7(10)6-4-2-1-3-5-6/h1-5,11H
InChIKeyXBJBUBYAZUNFAG-UHFFFAOYSA-N
XLogP0.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzoyloxyboranyl benzoate
CID 139803166
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
chloro acetate;chloro benzoate
CID 68991315
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
ethane;methoxymethane;methyl benzoate
CID 90999424
benzoyloxy(chloro)mercury
CID 70255792
chloro benzoate;prop-2-enoic acid
CID 174644875
chloro benzoate;thiophene
CID 175145000
benzoyl benzoate;benzoyl chloride
CID 157050310

Frequently Asked Questions

What is the IUPAC name of benzoyloxy(chlorooxy)borinic acid?
The IUPAC name of benzoyloxy(chlorooxy)borinic acid (CID 174976696) is benzoyloxy(chlorooxy)borinic acid.
What is the SMILES notation for benzoyloxy(chlorooxy)borinic acid?
The canonical SMILES for benzoyloxy(chlorooxy)borinic acid is O=C(OB(O)OCl)c1ccccc1.
What is the InChIKey of benzoyloxy(chlorooxy)borinic acid?
The InChIKey is XBJBUBYAZUNFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClO4/c9-13-8(11)12-7(10)6-4-2-1-3-5-6/h1-5,11H.
What are the key properties of benzoyloxy(chlorooxy)borinic acid?
benzoyloxy(chlorooxy)borinic acid has a molecular weight of 200.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyloxy(chlorooxy)borinic acid is sourced from PubChem (CID 174976696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).