methyl hypochlorite;toluene

C8H11ClO — CID 67768614

IUPACmethyl hypochlorite;toluene
SMILESCOCl.Cc1ccccc1
InChIInChI=1S/C7H8.CH3ClO/c1-7-5-3-2-4-6-7;1-3-2/h2-6H,1H3;1H3
InChIKeyMRWBCIKPZUJAQU-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.78
Rot. Bonds

About methyl hypochlorite;toluene

methyl hypochlorite;toluene (PubChem CID 67768614) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is methyl hypochlorite;toluene.

Molecular Properties

Compound Namemethyl hypochlorite;toluene
PubChem CID67768614
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Namemethyl hypochlorite;toluene
SMILESCOCl.Cc1ccccc1
InChIInChI=1S/C7H8.CH3ClO/c1-7-5-3-2-4-6-7;1-3-2/h2-6H,1H3;1H3
InChIKeyMRWBCIKPZUJAQU-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl hypochlorite;toluene?
The IUPAC name of methyl hypochlorite;toluene (CID 67768614) is methyl hypochlorite;toluene.
What is the SMILES notation for methyl hypochlorite;toluene?
The canonical SMILES for methyl hypochlorite;toluene is COCl.Cc1ccccc1.
What is the InChIKey of methyl hypochlorite;toluene?
The InChIKey is MRWBCIKPZUJAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.CH3ClO/c1-7-5-3-2-4-6-7;1-3-2/h2-6H,1H3;1H3.
What are the key properties of methyl hypochlorite;toluene?
methyl hypochlorite;toluene has a molecular weight of 158.63 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hypochlorite;toluene is sourced from PubChem (CID 67768614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).