1-chloroethanol;tantalum

C2H4ClOTa- — CID 153322749

IUPAC1-chloroethanol;tantalum
SMILESC[C-](O)Cl.[Ta]
InChIInChI=1S/C2H4ClO.Ta/c1-2(3)4;/h4H,1H3;/q-1;
InChIKeyCUNJQXOROWYMAZ-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.10
Rot. Bonds

About 1-chloroethanol;tantalum

1-chloroethanol;tantalum (PubChem CID 153322749) has the molecular formula C2H4ClOTa- and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-chloroethanol;tantalum.

Molecular Properties

Compound Name1-chloroethanol;tantalum
PubChem CID153322749
Molecular FormulaC2H4ClOTa-
Molecular Weight260.45 g/mol
Exact Mass259.94
IUPAC Name1-chloroethanol;tantalum
SMILESC[C-](O)Cl.[Ta]
InChIInChI=1S/C2H4ClO.Ta/c1-2(3)4;/h4H,1H3;/q-1;
InChIKeyCUNJQXOROWYMAZ-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloroethanol;tantalum?
The IUPAC name of 1-chloroethanol;tantalum (CID 153322749) is 1-chloroethanol;tantalum.
What is the SMILES notation for 1-chloroethanol;tantalum?
The canonical SMILES for 1-chloroethanol;tantalum is C[C-](O)Cl.[Ta].
What is the InChIKey of 1-chloroethanol;tantalum?
The InChIKey is CUNJQXOROWYMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClO.Ta/c1-2(3)4;/h4H,1H3;/q-1;.
What are the key properties of 1-chloroethanol;tantalum?
1-chloroethanol;tantalum has a molecular weight of 260.45 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethanol;tantalum is sourced from PubChem (CID 153322749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).