formonitrile;1,2,4-trichlorobenzene

C7H4Cl3N — CID 174386520

IUPACformonitrile;1,2,4-trichlorobenzene
SMILESC#N.Clc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl3.CHN/c7-4-1-2-5(8)6(9)3-4;1-2/h1-3H;1H
InChIKeyGMVQVPWEIYICDI-UHFFFAOYSA-N
MW208.48 g/mol
LogP3.79
Rot. Bonds

About formonitrile;1,2,4-trichlorobenzene

formonitrile;1,2,4-trichlorobenzene (PubChem CID 174386520) has the molecular formula C7H4Cl3N and a molecular weight of 208.48 g/mol. Its IUPAC name is formonitrile;1,2,4-trichlorobenzene.

Molecular Properties

Compound Nameformonitrile;1,2,4-trichlorobenzene
PubChem CID174386520
Molecular FormulaC7H4Cl3N
Molecular Weight208.48 g/mol
Exact Mass206.94
IUPAC Nameformonitrile;1,2,4-trichlorobenzene
SMILESC#N.Clc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl3.CHN/c7-4-1-2-5(8)6(9)3-4;1-2/h1-3H;1H
InChIKeyGMVQVPWEIYICDI-UHFFFAOYSA-N
XLogP3.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
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
1,4-dichlorobenzene;formonitrile
CID 174444870
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
sodium 2,5-dichlorophenolate
CID 23667212
calcium 2,4-dichlorophenolate
CID 3019582
2,4-dichloroaniline;molecular nitrogen
CID 69010854
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
CID 160811430

Frequently Asked Questions

What is the IUPAC name of formonitrile;1,2,4-trichlorobenzene?
The IUPAC name of formonitrile;1,2,4-trichlorobenzene (CID 174386520) is formonitrile;1,2,4-trichlorobenzene.
What is the SMILES notation for formonitrile;1,2,4-trichlorobenzene?
The canonical SMILES for formonitrile;1,2,4-trichlorobenzene is C#N.Clc1ccc(Cl)c(Cl)c1.
What is the InChIKey of formonitrile;1,2,4-trichlorobenzene?
The InChIKey is GMVQVPWEIYICDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.CHN/c7-4-1-2-5(8)6(9)3-4;1-2/h1-3H;1H.
What are the key properties of formonitrile;1,2,4-trichlorobenzene?
formonitrile;1,2,4-trichlorobenzene has a molecular weight of 208.48 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1,2,4-trichlorobenzene is sourced from PubChem (CID 174386520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).