carbonochloridoyloxy(phenyl)borinic acid

C7H6BClO3 — CID 87100080

IUPACcarbonochloridoyloxy(phenyl)borinic acid
SMILESO=C(Cl)OB(O)c1ccccc1
InChIInChI=1S/C7H6BClO3/c9-7(10)12-8(11)6-4-2-1-3-5-6/h1-5,11H
InChIKeyGFSMPHTVIFSXPX-UHFFFAOYSA-N
MW184.39 g/mol
LogP0.75
Rot. Bonds2

About carbonochloridoyloxy(phenyl)borinic acid

carbonochloridoyloxy(phenyl)borinic acid (PubChem CID 87100080) has the molecular formula C7H6BClO3 and a molecular weight of 184.39 g/mol. Its IUPAC name is carbonochloridoyloxy(phenyl)borinic acid.

Molecular Properties

Compound Namecarbonochloridoyloxy(phenyl)borinic acid
PubChem CID87100080
Molecular FormulaC7H6BClO3
Molecular Weight184.39 g/mol
Exact Mass184.01
IUPAC Namecarbonochloridoyloxy(phenyl)borinic acid
SMILESO=C(Cl)OB(O)c1ccccc1
InChIInChI=1S/C7H6BClO3/c9-7(10)12-8(11)6-4-2-1-3-5-6/h1-5,11H
InChIKeyGFSMPHTVIFSXPX-UHFFFAOYSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxycarbonyloxy(phenyl)borinic acid
CID 66960185
methylsulfinyloxy(phenyl)borinic acid
CID 168860148
hydroxymethoxy(phenyl)borinic acid
CID 66666392
ethoxy(phenyl)borinic acid
CID 67134240
phenyl(phenylperoxy)borinic acid
CID 87134111
methylperoxy(phenyl)borinic acid;hydrofluoride
CID 175302073
phenylboronic acid;propan-2-one
CID 175374589
methyl 4-diphenylboranylbenzoate
CID 174031227
(2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid
CID 141365922
iron;phenyl carbonochloridate
CID 159914445
diphenylboranylcarbonyl diphenylboranylformate
CID 57000365
(2,5-dioxopyrrolidin-1-yl)oxy-phenylborinic acid
CID 175524257

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyloxy(phenyl)borinic acid?
The IUPAC name of carbonochloridoyloxy(phenyl)borinic acid (CID 87100080) is carbonochloridoyloxy(phenyl)borinic acid.
What is the SMILES notation for carbonochloridoyloxy(phenyl)borinic acid?
The canonical SMILES for carbonochloridoyloxy(phenyl)borinic acid is O=C(Cl)OB(O)c1ccccc1.
What is the InChIKey of carbonochloridoyloxy(phenyl)borinic acid?
The InChIKey is GFSMPHTVIFSXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClO3/c9-7(10)12-8(11)6-4-2-1-3-5-6/h1-5,11H.
What are the key properties of carbonochloridoyloxy(phenyl)borinic acid?
carbonochloridoyloxy(phenyl)borinic acid has a molecular weight of 184.39 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyloxy(phenyl)borinic acid is sourced from PubChem (CID 87100080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).