1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene

C12H5Cl5 — CID 131869239

IUPAC1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene
SMILES[2H]c1c([2H])c(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1[2H]
InChIInChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H/i1D,2D,3D
InChIKeyMTCPZNVSDFCBBE-CBYSEHNBSA-N
MW329.46 g/mol
LogP6.62
Rot. Bonds1

About 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene

1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene (PubChem CID 131869239) has the molecular formula C12H5Cl5 and a molecular weight of 329.46 g/mol. Its IUPAC name is 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene
PubChem CID131869239
Molecular FormulaC12H5Cl5
Molecular Weight329.46 g/mol
Exact Mass326.90
IUPAC Name1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene
SMILES[2H]c1c([2H])c(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1[2H]
InChIInChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H/i1D,2D,3D
InChIKeyMTCPZNVSDFCBBE-CBYSEHNBSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.46
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101110060
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
5,7-dichloro-2,3-dihydroinden-1-one
CID 22292346
N-methyl-N-(2,4,6-trichlorophenyl)formamide
CID 87333483
methane;tris(1,3,5-trichlorobenzene)
CID 175444750
sulfane;1,3,5-trichlorobenzene
CID 174951805
3-chloro-2-(2,4,6-trichlorophenyl)benzamide
CID 134630611
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032
3-(3-amino-5-chloro-2-hydroxyphenyl)-2,4,5,6-tetradeuteriobenzoic acid
CID 171379336
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
2,4,6-trichlorobenzoyl fluoride
CID 154123611
3-chloro-2,4,5,6-tetradeuteriobenzoic acid
CID 131708644

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene?
The IUPAC name of 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene (CID 131869239) is 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene.
What is the SMILES notation for 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene?
The canonical SMILES for 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene is [2H]c1c([2H])c(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1[2H].
What is the InChIKey of 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene?
The InChIKey is MTCPZNVSDFCBBE-CBYSEHNBSA-N. The full InChI is InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H/i1D,2D,3D.
What are the key properties of 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene?
1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene has a molecular weight of 329.46 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2,3,4-trideuterio-6-(2,4,6-trichlorophenyl)benzene is sourced from PubChem (CID 131869239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).