acetonitrile;trichloroborane

C2H3BCl3N — CID 22369236

IUPACacetonitrile;trichloroborane
SMILESCC#N.ClB(Cl)Cl
InChIInChI=1S/C2H3N.BCl3/c1-2-3;2-1(3)4/h1H3;
InChIKeyRQGCNAHWASOXDA-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.22
Rot. Bonds

About acetonitrile;trichloroborane

acetonitrile;trichloroborane (PubChem CID 22369236) has the molecular formula C2H3BCl3N and a molecular weight of 158.22 g/mol. Its IUPAC name is acetonitrile;trichloroborane.

Molecular Properties

Compound Nameacetonitrile;trichloroborane
PubChem CID22369236
Molecular FormulaC2H3BCl3N
Molecular Weight158.22 g/mol
Exact Mass156.94
IUPAC Nameacetonitrile;trichloroborane
SMILESCC#N.ClB(Cl)Cl
InChIInChI=1S/C2H3N.BCl3/c1-2-3;2-1(3)4/h1H3;
InChIKeyRQGCNAHWASOXDA-UHFFFAOYSA-N
XLogP2.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 acetonitrile;trichloroborane?
The IUPAC name of acetonitrile;trichloroborane (CID 22369236) is acetonitrile;trichloroborane.
What is the SMILES notation for acetonitrile;trichloroborane?
The canonical SMILES for acetonitrile;trichloroborane is CC#N.ClB(Cl)Cl.
What is the InChIKey of acetonitrile;trichloroborane?
The InChIKey is RQGCNAHWASOXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.BCl3/c1-2-3;2-1(3)4/h1H3;.
What are the key properties of acetonitrile;trichloroborane?
acetonitrile;trichloroborane has a molecular weight of 158.22 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;trichloroborane is sourced from PubChem (CID 22369236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).