1,3,5-tribromo-2,4,6-trideuteriobenzene

C6H3Br3 — CID 122236902

IUPAC1,3,5-tribromo-2,4,6-trideuteriobenzene
SMILES[2H]c1c(Br)c([2H])c(Br)c([2H])c1Br
InChIInChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D
InChIKeyYWDUZLFWHVQCHY-CBYSEHNBSA-N
MW317.82 g/mol
LogP3.97
Rot. Bonds

About 1,3,5-tribromo-2,4,6-trideuteriobenzene

1,3,5-tribromo-2,4,6-trideuteriobenzene (PubChem CID 122236902) has the molecular formula C6H3Br3 and a molecular weight of 317.82 g/mol. Its IUPAC name is 1,3,5-tribromo-2,4,6-trideuteriobenzene.

Molecular Properties

Compound Name1,3,5-tribromo-2,4,6-trideuteriobenzene
PubChem CID122236902
Molecular FormulaC6H3Br3
Molecular Weight317.82 g/mol
Exact Mass314.80
IUPAC Name1,3,5-tribromo-2,4,6-trideuteriobenzene
SMILES[2H]c1c(Br)c([2H])c(Br)c([2H])c1Br
InChIInChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D
InChIKeyYWDUZLFWHVQCHY-CBYSEHNBSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2,4,6-trideuteriobenzene?
The IUPAC name of 1,3,5-tribromo-2,4,6-trideuteriobenzene (CID 122236902) is 1,3,5-tribromo-2,4,6-trideuteriobenzene.
What is the SMILES notation for 1,3,5-tribromo-2,4,6-trideuteriobenzene?
The canonical SMILES for 1,3,5-tribromo-2,4,6-trideuteriobenzene is [2H]c1c(Br)c([2H])c(Br)c([2H])c1Br.
What is the InChIKey of 1,3,5-tribromo-2,4,6-trideuteriobenzene?
The InChIKey is YWDUZLFWHVQCHY-CBYSEHNBSA-N. The full InChI is InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D.
What are the key properties of 1,3,5-tribromo-2,4,6-trideuteriobenzene?
1,3,5-tribromo-2,4,6-trideuteriobenzene has a molecular weight of 317.82 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2,4,6-trideuteriobenzene is sourced from PubChem (CID 122236902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).