1,2-dichloro-3,4,5,6-tetradeuteriobenzene

C6H4Cl2 — CID 519913

IUPAC1,2-dichloro-3,4,5,6-tetradeuteriobenzene
SMILES[2H]c1c([2H])c([2H])c(Cl)c(Cl)c1[2H]
InChIInChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D
InChIKeyRFFLAFLAYFXFSW-RHQRLBAQSA-N
MW151.03 g/mol
LogP2.99
Rot. Bonds

About 1,2-dichloro-3,4,5,6-tetradeuteriobenzene

1,2-dichloro-3,4,5,6-tetradeuteriobenzene (PubChem CID 519913) has the molecular formula C6H4Cl2 and a molecular weight of 151.03 g/mol. Its IUPAC name is 1,2-dichloro-3,4,5,6-tetradeuteriobenzene.

Molecular Properties

Compound Name1,2-dichloro-3,4,5,6-tetradeuteriobenzene
PubChem CID519913
Molecular FormulaC6H4Cl2
Molecular Weight151.03 g/mol
Exact Mass149.99
IUPAC Name1,2-dichloro-3,4,5,6-tetradeuteriobenzene
SMILES[2H]c1c([2H])c([2H])c(Cl)c(Cl)c1[2H]
InChIInChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D
InChIKeyRFFLAFLAYFXFSW-RHQRLBAQSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.03
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-Dichlorobenzene
CID 4685
1,2-Dichlorobenzene
CID 7239
Chlorobenzene
CID 7964
Pentachlorobenzene
CID 11855
1,3,5-Trichlorobenzene
CID 7950
1,2,4-Trichlorobenzene
CID 13
1,2,3-Trichlorobenzene
CID 6895
1,2,4,5-Tetrachlorobenzene
CID 7270
1,3-Dichlorobenzene
CID 10943
1,2,3,5-Tetrachlorobenzene
CID 12468
1,2,3,4-Tetrachlorobenzene
CID 12463
1-Chloro-2-fluorobenzene
CID 9583

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,4,5,6-tetradeuteriobenzene?
The IUPAC name of 1,2-dichloro-3,4,5,6-tetradeuteriobenzene (CID 519913) is 1,2-dichloro-3,4,5,6-tetradeuteriobenzene.
What is the SMILES notation for 1,2-dichloro-3,4,5,6-tetradeuteriobenzene?
The canonical SMILES for 1,2-dichloro-3,4,5,6-tetradeuteriobenzene is [2H]c1c([2H])c([2H])c(Cl)c(Cl)c1[2H].
What is the InChIKey of 1,2-dichloro-3,4,5,6-tetradeuteriobenzene?
The InChIKey is RFFLAFLAYFXFSW-RHQRLBAQSA-N. The full InChI is InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D.
What are the key properties of 1,2-dichloro-3,4,5,6-tetradeuteriobenzene?
1,2-dichloro-3,4,5,6-tetradeuteriobenzene has a molecular weight of 151.03 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,4,5,6-tetradeuteriobenzene is sourced from PubChem (CID 519913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).