acetonitrile;dichlorocobalt

C2H3Cl2CoN — CID 158125017

IUPACacetonitrile;dichlorocobalt
SMILESCC#N.Cl[Co]Cl
InChIInChI=1S/C2H3N.2ClH.Co/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyFSBHAXLGUZEQNI-UHFFFAOYSA-L
MW170.89 g/mol
LogP1.91
Rot. Bonds

About acetonitrile;dichlorocobalt

acetonitrile;dichlorocobalt (PubChem CID 158125017) has the molecular formula C2H3Cl2CoN and a molecular weight of 170.89 g/mol. Its IUPAC name is acetonitrile;dichlorocobalt.

Molecular Properties

Compound Nameacetonitrile;dichlorocobalt
PubChem CID158125017
Molecular FormulaC2H3Cl2CoN
Molecular Weight170.89 g/mol
Exact Mass169.90
IUPAC Nameacetonitrile;dichlorocobalt
SMILESCC#N.Cl[Co]Cl
InChIInChI=1S/C2H3N.2ClH.Co/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyFSBHAXLGUZEQNI-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 ≤ 500170.89
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 88423148
CID 88423148
Acetonitrile;trihydrochloride
CID 141316565
Acetonitrile;iron(3+);trichloride
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CID 161433653

Frequently Asked Questions

What is the IUPAC name of acetonitrile;dichlorocobalt?
The IUPAC name of acetonitrile;dichlorocobalt (CID 158125017) is acetonitrile;dichlorocobalt.
What is the SMILES notation for acetonitrile;dichlorocobalt?
The canonical SMILES for acetonitrile;dichlorocobalt is CC#N.Cl[Co]Cl.
What is the InChIKey of acetonitrile;dichlorocobalt?
The InChIKey is FSBHAXLGUZEQNI-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3N.2ClH.Co/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2.
What are the key properties of acetonitrile;dichlorocobalt?
acetonitrile;dichlorocobalt has a molecular weight of 170.89 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;dichlorocobalt is sourced from PubChem (CID 158125017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).