chloromethane;toluene;dihydrochloride

C8H13Cl3 — CID 174689155

IUPACchloromethane;toluene;dihydrochloride
SMILESCCl.Cc1ccccc1.Cl.Cl
InChIInChI=1S/C7H8.CH3Cl.2ClH/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H3;1H3;2*1H
InChIKeyONLOAWLAKSIXEV-UHFFFAOYSA-N
MW215.55 g/mol
LogP3.69
Rot. Bonds

About chloromethane;toluene;dihydrochloride

chloromethane;toluene;dihydrochloride (PubChem CID 174689155) has the molecular formula C8H13Cl3 and a molecular weight of 215.55 g/mol. Its IUPAC name is chloromethane;toluene;dihydrochloride.

Molecular Properties

Compound Namechloromethane;toluene;dihydrochloride
PubChem CID174689155
Molecular FormulaC8H13Cl3
Molecular Weight215.55 g/mol
Exact Mass214.01
IUPAC Namechloromethane;toluene;dihydrochloride
SMILESCCl.Cc1ccccc1.Cl.Cl
InChIInChI=1S/C7H8.CH3Cl.2ClH/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H3;1H3;2*1H
InChIKeyONLOAWLAKSIXEV-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloromethane;toluene;dihydrochloride?
The IUPAC name of chloromethane;toluene;dihydrochloride (CID 174689155) is chloromethane;toluene;dihydrochloride.
What is the SMILES notation for chloromethane;toluene;dihydrochloride?
The canonical SMILES for chloromethane;toluene;dihydrochloride is CCl.Cc1ccccc1.Cl.Cl.
What is the InChIKey of chloromethane;toluene;dihydrochloride?
The InChIKey is ONLOAWLAKSIXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.CH3Cl.2ClH/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H3;1H3;2*1H.
What are the key properties of chloromethane;toluene;dihydrochloride?
chloromethane;toluene;dihydrochloride has a molecular weight of 215.55 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;toluene;dihydrochloride is sourced from PubChem (CID 174689155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).