sodium;hydride;1,2,4-trichlorobenzene

C6H4Cl3Na — CID 173452443

IUPACsodium;hydride;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.[H-].[Na+]
InChIInChI=1S/C6H3Cl3.Na.H/c7-4-1-2-5(8)6(9)3-4;;/h1-3H;;/q;+1;-1
InChIKeyYBQAJVHXINZLCT-UHFFFAOYSA-N
MW205.45 g/mol
LogP0.76
Rot. Bonds

About sodium;hydride;1,2,4-trichlorobenzene

sodium;hydride;1,2,4-trichlorobenzene (PubChem CID 173452443) has the molecular formula C6H4Cl3Na and a molecular weight of 205.45 g/mol. Its IUPAC name is sodium;hydride;1,2,4-trichlorobenzene.

Molecular Properties

Compound Namesodium;hydride;1,2,4-trichlorobenzene
PubChem CID173452443
Molecular FormulaC6H4Cl3Na
Molecular Weight205.45 g/mol
Exact Mass203.93
IUPAC Namesodium;hydride;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.[H-].[Na+]
InChIInChI=1S/C6H3Cl3.Na.H/c7-4-1-2-5(8)6(9)3-4;;/h1-3H;;/q;+1;-1
InChIKeyYBQAJVHXINZLCT-UHFFFAOYSA-N
XLogP0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.45
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methane;1,2,4-trichlorobenzene
CID 157397102
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
formonitrile;1,2,4-trichlorobenzene
CID 174386520
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
nitrous acid;1,2,4-trichlorobenzene
CID 174763822
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
sodium 2,5-dichlorophenolate
CID 23667212
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
calcium 2,4-dichlorophenolate
CID 3019582
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
CID 160811430
sodium;1,3-dichlorobenzene;hydride
CID 175271520
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,2,4-trichlorobenzene?
The IUPAC name of sodium;hydride;1,2,4-trichlorobenzene (CID 173452443) is sodium;hydride;1,2,4-trichlorobenzene.
What is the SMILES notation for sodium;hydride;1,2,4-trichlorobenzene?
The canonical SMILES for sodium;hydride;1,2,4-trichlorobenzene is Clc1ccc(Cl)c(Cl)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,2,4-trichlorobenzene?
The InChIKey is YBQAJVHXINZLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.Na.H/c7-4-1-2-5(8)6(9)3-4;;/h1-3H;;/q;+1;-1.
What are the key properties of sodium;hydride;1,2,4-trichlorobenzene?
sodium;hydride;1,2,4-trichlorobenzene has a molecular weight of 205.45 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,2,4-trichlorobenzene is sourced from PubChem (CID 173452443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).