CID 87178219

C2H7BClO2 — CID 87178219

IUPAC—
SMILESCO[B]OC.Cl
InChIInChI=1S/C2H6BO2.ClH/c1-4-3-5-2;/h1-2H3;1H
InChIKeyCPSUNLDIDHWRIJ-UHFFFAOYSA-N
MW109.34 g/mol
LogP0.24
Rot. Bonds2

About CID 87178219

CID 87178219 (PubChem CID 87178219) has the molecular formula C2H7BClO2 and a molecular weight of 109.34 g/mol.

Molecular Properties

Compound NameCID 87178219
PubChem CID87178219
Molecular FormulaC2H7BClO2
Molecular Weight109.34 g/mol
Exact Mass109.02
IUPAC Name—
SMILESCO[B]OC.Cl
InChIInChI=1S/C2H6BO2.ClH/c1-4-3-5-2;/h1-2H3;1H
InChIKeyCPSUNLDIDHWRIJ-UHFFFAOYSA-N
XLogP0.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59859096
CID 59859096
methoxy(oxo)borane
CID 22764434
CID 87900155
CID 87900155
methoxyhydrazine;hydrochloride
CID 158874781
dideuterio(methoxy)methane
CID 58133317
methoxy-(sulfanylidene-λ4-sulfanylidene)borane
CID 90291296
CID 87139687
CID 87139687
λ2-plumbane;methoxymethane
CID 174743176
methoxymethane;hydrate
CID 18323453
methoxymethane;titanium
CID 159442772
ethane;methoxymethane
CID 91263182
alumane;methoxymethane
CID 173236671

Frequently Asked Questions

What is the IUPAC name of CID 87178219?
The IUPAC name of CID 87178219 (CID 87178219) is not available.
What is the SMILES notation for CID 87178219?
The canonical SMILES for CID 87178219 is CO[B]OC.Cl.
What is the InChIKey of CID 87178219?
The InChIKey is CPSUNLDIDHWRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BO2.ClH/c1-4-3-5-2;/h1-2H3;1H.
What are the key properties of CID 87178219?
CID 87178219 has a molecular weight of 109.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87178219 is sourced from PubChem (CID 87178219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).