chloromethane;toluene

C9H14Cl2 — CID 178022822

IUPACchloromethane;toluene
SMILESCCl.CCl.Cc1ccccc1
InChIInChI=1S/C7H8.2CH3Cl/c1-7-5-3-2-4-6-7;2*1-2/h2-6H,1H3;2*1H3
InChIKeyLXPJGWIFBMTJTK-UHFFFAOYSA-N
MW193.12 g/mol
LogP3.71
Rot. Bonds

About chloromethane;toluene

chloromethane;toluene (PubChem CID 178022822) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is chloromethane;toluene.

Molecular Properties

Compound Namechloromethane;toluene
PubChem CID178022822
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Namechloromethane;toluene
SMILESCCl.CCl.Cc1ccccc1
InChIInChI=1S/C7H8.2CH3Cl/c1-7-5-3-2-4-6-7;2*1-2/h2-6H,1H3;2*1H3
InChIKeyLXPJGWIFBMTJTK-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 53.71
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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CID 67707971
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CID 66712893
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CID 91350799
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CID 22272177
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CID 160574470
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CID 174345064
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CID 159315944

Frequently Asked Questions

What is the IUPAC name of chloromethane;toluene?
The IUPAC name of chloromethane;toluene (CID 178022822) is chloromethane;toluene.
What is the SMILES notation for chloromethane;toluene?
The canonical SMILES for chloromethane;toluene is CCl.CCl.Cc1ccccc1.
What is the InChIKey of chloromethane;toluene?
The InChIKey is LXPJGWIFBMTJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2CH3Cl/c1-7-5-3-2-4-6-7;2*1-2/h2-6H,1H3;2*1H3.
What are the key properties of chloromethane;toluene?
chloromethane;toluene has a molecular weight of 193.12 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;toluene is sourced from PubChem (CID 178022822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).