1,2-dibromo(1,2-13C2)ethane

C2H4Br2 — CID 12998452

IUPAC1,2-dibromo(1,2-13C2)ethane
SMILESBr[13CH2][13CH2]Br
InChIInChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1+1,2+1
InChIKeyPAAZPARNPHGIKF-ZDOIIHCHSA-N
MW189.85 g/mol
LogP1.78
Rot. Bonds1

About 1,2-dibromo(1,2-13C2)ethane

1,2-dibromo(1,2-13C2)ethane (PubChem CID 12998452) has the molecular formula C2H4Br2 and a molecular weight of 189.85 g/mol. Its IUPAC name is 1,2-dibromo(1,2-13C2)ethane.

Molecular Properties

Compound Name1,2-dibromo(1,2-13C2)ethane
PubChem CID12998452
Molecular FormulaC2H4Br2
Molecular Weight189.85 g/mol
Exact Mass187.87
IUPAC Name1,2-dibromo(1,2-13C2)ethane
SMILESBr[13CH2][13CH2]Br
InChIInChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1+1,2+1
InChIKeyPAAZPARNPHGIKF-ZDOIIHCHSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.85
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo(1,2-13C2)ethane?
The IUPAC name of 1,2-dibromo(1,2-13C2)ethane (CID 12998452) is 1,2-dibromo(1,2-13C2)ethane.
What is the SMILES notation for 1,2-dibromo(1,2-13C2)ethane?
The canonical SMILES for 1,2-dibromo(1,2-13C2)ethane is Br[13CH2][13CH2]Br.
What is the InChIKey of 1,2-dibromo(1,2-13C2)ethane?
The InChIKey is PAAZPARNPHGIKF-ZDOIIHCHSA-N. The full InChI is InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1+1,2+1.
What are the key properties of 1,2-dibromo(1,2-13C2)ethane?
1,2-dibromo(1,2-13C2)ethane has a molecular weight of 189.85 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo(1,2-13C2)ethane is sourced from PubChem (CID 12998452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).