formylazanide;titanium(3+);dichloride

CH2Cl2NOTi — CID 174487777

IUPACformylazanide;titanium(3+);dichloride
SMILES[Cl-].[Cl-].[NH-]C=O.[Ti+3]
InChIInChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+3/p-3
InChIKeyFKMDRBXLHBEOSB-UHFFFAOYSA-K
MW162.81 g/mol
LogP-5.80
Rot. Bonds

About formylazanide;titanium(3+);dichloride

formylazanide;titanium(3+);dichloride (PubChem CID 174487777) has the molecular formula CH2Cl2NOTi and a molecular weight of 162.81 g/mol. Its IUPAC name is formylazanide;titanium(3+);dichloride.

Molecular Properties

Compound Nameformylazanide;titanium(3+);dichloride
PubChem CID174487777
Molecular FormulaCH2Cl2NOTi
Molecular Weight162.81 g/mol
Exact Mass161.90
IUPAC Nameformylazanide;titanium(3+);dichloride
SMILES[Cl-].[Cl-].[NH-]C=O.[Ti+3]
InChIInChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+3/p-3
InChIKeyFKMDRBXLHBEOSB-UHFFFAOYSA-K
XLogP-5.80
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.81
LogP ≤ 5-5.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formylazanide;titanium(3+);dichloride?
The IUPAC name of formylazanide;titanium(3+);dichloride (CID 174487777) is formylazanide;titanium(3+);dichloride.
What is the SMILES notation for formylazanide;titanium(3+);dichloride?
The canonical SMILES for formylazanide;titanium(3+);dichloride is [Cl-].[Cl-].[NH-]C=O.[Ti+3].
What is the InChIKey of formylazanide;titanium(3+);dichloride?
The InChIKey is FKMDRBXLHBEOSB-UHFFFAOYSA-K. The full InChI is InChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+3/p-3.
What are the key properties of formylazanide;titanium(3+);dichloride?
formylazanide;titanium(3+);dichloride has a molecular weight of 162.81 g/mol, XLogP of -5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formylazanide;titanium(3+);dichloride is sourced from PubChem (CID 174487777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).