methane;1,2,4-trichlorobenzene

C7H7Cl3 — CID 157397102

IUPACmethane;1,2,4-trichlorobenzene
SMILESC.Clc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl3.CH4/c7-4-1-2-5(8)6(9)3-4;/h1-3H;1H4
InChIKeyYIEBGLAQINPKSP-UHFFFAOYSA-N
MW197.49 g/mol
LogP4.28
Rot. Bonds

About methane;1,2,4-trichlorobenzene

methane;1,2,4-trichlorobenzene (PubChem CID 157397102) has the molecular formula C7H7Cl3 and a molecular weight of 197.49 g/mol. Its IUPAC name is methane;1,2,4-trichlorobenzene.

Molecular Properties

Compound Namemethane;1,2,4-trichlorobenzene
PubChem CID157397102
Molecular FormulaC7H7Cl3
Molecular Weight197.49 g/mol
Exact Mass195.96
IUPAC Namemethane;1,2,4-trichlorobenzene
SMILESC.Clc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl3.CH4/c7-4-1-2-5(8)6(9)3-4;/h1-3H;1H4
InChIKeyYIEBGLAQINPKSP-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.49
LogP ≤ 54.28
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

sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
formonitrile;1,2,4-trichlorobenzene
CID 174386520
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
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
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
sodium 2,5-dichlorophenolate
CID 23667212
calcium 2,4-dichlorophenolate
CID 3019582
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
CID 160811430
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
(2,4-dichlorophenyl)hydrazine;methane
CID 54772277

Frequently Asked Questions

What is the IUPAC name of methane;1,2,4-trichlorobenzene?
The IUPAC name of methane;1,2,4-trichlorobenzene (CID 157397102) is methane;1,2,4-trichlorobenzene.
What is the SMILES notation for methane;1,2,4-trichlorobenzene?
The canonical SMILES for methane;1,2,4-trichlorobenzene is C.Clc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methane;1,2,4-trichlorobenzene?
The InChIKey is YIEBGLAQINPKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.CH4/c7-4-1-2-5(8)6(9)3-4;/h1-3H;1H4.
What are the key properties of methane;1,2,4-trichlorobenzene?
methane;1,2,4-trichlorobenzene has a molecular weight of 197.49 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,4-trichlorobenzene is sourced from PubChem (CID 157397102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).