chloroform;oxalonitrile;hydrobromide

C3H2BrCl3N2 — CID 88658029

IUPACchloroform;oxalonitrile;hydrobromide
SMILESBr.ClC(Cl)Cl.N#CC#N
InChIInChI=1S/C2N2.CHCl3.BrH/c3-1-2-4;2-1(3)4;/h;1H;1H
InChIKeyMSORASSPPSGREF-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.60
Rot. Bonds

About chloroform;oxalonitrile;hydrobromide

chloroform;oxalonitrile;hydrobromide (PubChem CID 88658029) has the molecular formula C3H2BrCl3N2 and a molecular weight of 252.33 g/mol. Its IUPAC name is chloroform;oxalonitrile;hydrobromide.

Molecular Properties

Compound Namechloroform;oxalonitrile;hydrobromide
PubChem CID88658029
Molecular FormulaC3H2BrCl3N2
Molecular Weight252.33 g/mol
Exact Mass249.85
IUPAC Namechloroform;oxalonitrile;hydrobromide
SMILESBr.ClC(Cl)Cl.N#CC#N
InChIInChI=1S/C2N2.CHCl3.BrH/c3-1-2-4;2-1(3)4;/h;1H;1H
InChIKeyMSORASSPPSGREF-UHFFFAOYSA-N
XLogP2.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroform;oxalonitrile;hydrobromide?
The IUPAC name of chloroform;oxalonitrile;hydrobromide (CID 88658029) is chloroform;oxalonitrile;hydrobromide.
What is the SMILES notation for chloroform;oxalonitrile;hydrobromide?
The canonical SMILES for chloroform;oxalonitrile;hydrobromide is Br.ClC(Cl)Cl.N#CC#N.
What is the InChIKey of chloroform;oxalonitrile;hydrobromide?
The InChIKey is MSORASSPPSGREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2.CHCl3.BrH/c3-1-2-4;2-1(3)4;/h;1H;1H.
What are the key properties of chloroform;oxalonitrile;hydrobromide?
chloroform;oxalonitrile;hydrobromide has a molecular weight of 252.33 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;oxalonitrile;hydrobromide is sourced from PubChem (CID 88658029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).