zinc;cyanoboranuide;dichloride

CH3BCl2NZn- — CID 131717308

IUPACzinc;cyanoboranuide;dichloride
SMILES[BH3-]C#N.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/CH3BN.2ClH.Zn/c2-1-3;;;/h2H3;2*1H;/q-1;;;+2/p-2
InChIKeyBJXRXLNPRJDPHS-UHFFFAOYSA-L
MW176.15 g/mol
LogP-7.16
Rot. Bonds

About zinc;cyanoboranuide;dichloride

zinc;cyanoboranuide;dichloride (PubChem CID 131717308) has the molecular formula CH3BCl2NZn- and a molecular weight of 176.15 g/mol. Its IUPAC name is zinc;cyanoboranuide;dichloride.

Molecular Properties

Compound Namezinc;cyanoboranuide;dichloride
PubChem CID131717308
Molecular FormulaCH3BCl2NZn-
Molecular Weight176.15 g/mol
Exact Mass173.90
IUPAC Namezinc;cyanoboranuide;dichloride
SMILES[BH3-]C#N.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/CH3BN.2ClH.Zn/c2-1-3;;;/h2H3;2*1H;/q-1;;;+2/p-2
InChIKeyBJXRXLNPRJDPHS-UHFFFAOYSA-L
XLogP-7.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 5-7.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of zinc;cyanoboranuide;dichloride?
The IUPAC name of zinc;cyanoboranuide;dichloride (CID 131717308) is zinc;cyanoboranuide;dichloride.
What is the SMILES notation for zinc;cyanoboranuide;dichloride?
The canonical SMILES for zinc;cyanoboranuide;dichloride is [BH3-]C#N.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;cyanoboranuide;dichloride?
The InChIKey is BJXRXLNPRJDPHS-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3BN.2ClH.Zn/c2-1-3;;;/h2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of zinc;cyanoboranuide;dichloride?
zinc;cyanoboranuide;dichloride has a molecular weight of 176.15 g/mol, XLogP of -7.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;cyanoboranuide;dichloride is sourced from PubChem (CID 131717308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).