1,5-dibromo-2,3,4-trideuteriobenzene

C6H4Br2 — CID 177285460

IUPAC1,5-dibromo-2,3,4-trideuteriobenzene
SMILES[2H]c1c(Br)cc(Br)c([2H])c1[2H]
InChIInChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H/i1D,2D,3D
InChIKeyJSRLURSZEMLAFO-CBYSEHNBSA-N
MW238.92 g/mol
LogP3.21
Rot. Bonds

About 1,5-dibromo-2,3,4-trideuteriobenzene

1,5-dibromo-2,3,4-trideuteriobenzene (PubChem CID 177285460) has the molecular formula C6H4Br2 and a molecular weight of 238.92 g/mol. Its IUPAC name is 1,5-dibromo-2,3,4-trideuteriobenzene.

Molecular Properties

Compound Name1,5-dibromo-2,3,4-trideuteriobenzene
PubChem CID177285460
Molecular FormulaC6H4Br2
Molecular Weight238.92 g/mol
Exact Mass236.89
IUPAC Name1,5-dibromo-2,3,4-trideuteriobenzene
SMILES[2H]c1c(Br)cc(Br)c([2H])c1[2H]
InChIInChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H/i1D,2D,3D
InChIKeyJSRLURSZEMLAFO-CBYSEHNBSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.92
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene
CID 175970687
1-bromo-2,3,4,6-tetradeuterio-5-[2-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]benzene
CID 164847127
1-bromo-2,3,4,5,6-pentadeuteriobenzene;1-bromo-2,3,5,6-tetradeuterio-4-iodobenzene;methane
CID 160545295
1,3,5-tribromo-2,4,6-trideuteriobenzene
CID 122236902
1-bromo-2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene
CID 87220728
1-(3-bromophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 88865397
1-(3-bromo-2,4,5,6-tetradeuteriophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane
CID 171748613
1-bromo-2,3-dichloro-4,5,6-trideuteriobenzene
CID 118166292
2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene
CID 89310078
1,2,3,4,5-pentadeuterio-6-(3,5-dibromo-2,4,6-trideuteriophenyl)benzene
CID 170663253
1-(3-bromo-5-chlorophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 169297845
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,3,4-trideuteriobenzene?
The IUPAC name of 1,5-dibromo-2,3,4-trideuteriobenzene (CID 177285460) is 1,5-dibromo-2,3,4-trideuteriobenzene.
What is the SMILES notation for 1,5-dibromo-2,3,4-trideuteriobenzene?
The canonical SMILES for 1,5-dibromo-2,3,4-trideuteriobenzene is [2H]c1c(Br)cc(Br)c([2H])c1[2H].
What is the InChIKey of 1,5-dibromo-2,3,4-trideuteriobenzene?
The InChIKey is JSRLURSZEMLAFO-CBYSEHNBSA-N. The full InChI is InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H/i1D,2D,3D.
What are the key properties of 1,5-dibromo-2,3,4-trideuteriobenzene?
1,5-dibromo-2,3,4-trideuteriobenzene has a molecular weight of 238.92 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,3,4-trideuteriobenzene is sourced from PubChem (CID 177285460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).