acetonitrile;dichlorocopper

C2H3Cl2CuN — CID 159659837

IUPACacetonitrile;dichlorocopper
SMILESCC#N.Cl[Cu]Cl
InChIInChI=1S/C2H3N.2ClH.Cu/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyMSQSMJBRWZRGQA-UHFFFAOYSA-L
MW175.50 g/mol
LogP1.91
Rot. Bonds

About acetonitrile;dichlorocopper

acetonitrile;dichlorocopper (PubChem CID 159659837) has the molecular formula C2H3Cl2CuN and a molecular weight of 175.50 g/mol. Its IUPAC name is acetonitrile;dichlorocopper.

Molecular Properties

Compound Nameacetonitrile;dichlorocopper
PubChem CID159659837
Molecular FormulaC2H3Cl2CuN
Molecular Weight175.50 g/mol
Exact Mass173.89
IUPAC Nameacetonitrile;dichlorocopper
SMILESCC#N.Cl[Cu]Cl
InChIInChI=1S/C2H3N.2ClH.Cu/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyMSQSMJBRWZRGQA-UHFFFAOYSA-L
XLogP1.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.50
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;dichlorocopper?
The IUPAC name of acetonitrile;dichlorocopper (CID 159659837) is acetonitrile;dichlorocopper.
What is the SMILES notation for acetonitrile;dichlorocopper?
The canonical SMILES for acetonitrile;dichlorocopper is CC#N.Cl[Cu]Cl.
What is the InChIKey of acetonitrile;dichlorocopper?
The InChIKey is MSQSMJBRWZRGQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3N.2ClH.Cu/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2.
What are the key properties of acetonitrile;dichlorocopper?
acetonitrile;dichlorocopper has a molecular weight of 175.50 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;dichlorocopper is sourced from PubChem (CID 159659837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).