1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene

C6H3BrCl2 — CID 131708601

IUPAC1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene
SMILES[2H]c1c(Cl)c([2H])c(Br)c([2H])c1Cl
InChIInChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D
InChIKeyDZHFFMWJXJBBRG-CBYSEHNBSA-N
MW228.92 g/mol
LogP3.76
Rot. Bonds

About 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene

1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene (PubChem CID 131708601) has the molecular formula C6H3BrCl2 and a molecular weight of 228.92 g/mol. Its IUPAC name is 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene.

Molecular Properties

Compound Name1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene
PubChem CID131708601
Molecular FormulaC6H3BrCl2
Molecular Weight228.92 g/mol
Exact Mass226.90
IUPAC Name1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene
SMILES[2H]c1c(Cl)c([2H])c(Br)c([2H])c1Cl
InChIInChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D
InChIKeyDZHFFMWJXJBBRG-CBYSEHNBSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.92
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Bromo-2,6-dichlorobenzene
CID 29568
p-Bromochlorobenzene
CID 7806
1-Bromo-3-chlorobenzene
CID 7928
1-Bromo-2-chlorobenzene
CID 12754
Benzene, 1-bromo-3,5-dichloro-
CID 29766
1-Bromo-2,4-dichlorobenzene
CID 70947
4-Bromo-1,2-dichlorobenzene
CID 29013
2-Bromo-1,4-dichlorobenzene
CID 15033
1-Bromo-2,3-dichlorobenzene
CID 42066
2-Bromo-1,3,5-trichlorobenzene
CID 140526
2-Bromo-4-chloro-1-fluorobenzene
CID 2773264
5-Bromo-1,2,3-trichlorobenzene
CID 4124400

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene?
The IUPAC name of 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene (CID 131708601) is 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene.
What is the SMILES notation for 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene?
The canonical SMILES for 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene is [2H]c1c(Cl)c([2H])c(Br)c([2H])c1Cl.
What is the InChIKey of 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene?
The InChIKey is DZHFFMWJXJBBRG-CBYSEHNBSA-N. The full InChI is InChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D.
What are the key properties of 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene?
1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene has a molecular weight of 228.92 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene is sourced from PubChem (CID 131708601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).