1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene

C12H8BrCl — CID 175970687

IUPAC1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene
SMILES[2H]c1c([2H])c(Cl)c([2H])c(-c2c([2H])c([2H])c([2H])c(Br)c2[2H])c1[2H]
InChIInChI=1S/C12H8BrCl/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKeyXDPLWYUXKVCBFV-PGRXLJNUSA-N
MW275.60 g/mol
LogP4.77
Rot. Bonds1

About 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene

1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene (PubChem CID 175970687) has the molecular formula C12H8BrCl and a molecular weight of 275.60 g/mol. Its IUPAC name is 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene.

Molecular Properties

Compound Name1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene
PubChem CID175970687
Molecular FormulaC12H8BrCl
Molecular Weight275.60 g/mol
Exact Mass274.00
IUPAC Name1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene
SMILES[2H]c1c([2H])c(Cl)c([2H])c(-c2c([2H])c([2H])c([2H])c(Br)c2[2H])c1[2H]
InChIInChI=1S/C12H8BrCl/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKeyXDPLWYUXKVCBFV-PGRXLJNUSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.60
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene
CID 171731254
1-(3-bromo-5-chlorophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 169297845
1-bromo-2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene
CID 87220728
1,2,3,4,5-pentadeuterio-6-(3,5-dibromo-2,4,6-trideuteriophenyl)benzene
CID 170663253
1,5-dibromo-2,3,4-trideuteriobenzene
CID 177285460
1-bromo-3,5-dichloro-2,4,6-trideuteriobenzene
CID 131708601
3-chloro-2,4,5,6-tetradeuteriobenzoic acid
CID 131708644
1-bromo-2,3,4,6-tetradeuterio-5-[2-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]benzene
CID 164847127
4-bromo-2-chloro-3,5-dideuteriopyridine
CID 178051658
1,3,5-tribromo-2,4,6-trideuteriobenzene
CID 122236902
2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene
CID 89310078
2-bromo-1,3,5-trideuterio-4-methylbenzene
CID 131701141

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene?
The IUPAC name of 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene (CID 175970687) is 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene.
What is the SMILES notation for 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene?
The canonical SMILES for 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene is [2H]c1c([2H])c(Cl)c([2H])c(-c2c([2H])c([2H])c([2H])c(Br)c2[2H])c1[2H].
What is the InChIKey of 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene?
The InChIKey is XDPLWYUXKVCBFV-PGRXLJNUSA-N. The full InChI is InChI=1S/C12H8BrCl/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D.
What are the key properties of 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene?
1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene has a molecular weight of 275.60 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene is sourced from PubChem (CID 175970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).