benzene;chloroform

C7H7Cl3 — CID 22101329

IUPACbenzene;chloroform
SMILESClC(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.CHCl3/c1-2-4-6-5-3-1;2-1(3)4/h1-6H;1H
InChIKeyOWAQXCQNWNJICI-UHFFFAOYSA-N
MW197.49 g/mol
LogP3.67
Rot. Bonds

About benzene;chloroform

benzene;chloroform (PubChem CID 22101329) has the molecular formula C7H7Cl3 and a molecular weight of 197.49 g/mol. Its IUPAC name is benzene;chloroform.

Molecular Properties

Compound Namebenzene;chloroform
PubChem CID22101329
Molecular FormulaC7H7Cl3
Molecular Weight197.49 g/mol
Exact Mass195.96
IUPAC Namebenzene;chloroform
SMILESClC(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.CHCl3/c1-2-4-6-5-3-1;2-1(3)4/h1-6H;1H
InChIKeyOWAQXCQNWNJICI-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;chloroform?
The IUPAC name of benzene;chloroform (CID 22101329) is benzene;chloroform.
What is the SMILES notation for benzene;chloroform?
The canonical SMILES for benzene;chloroform is ClC(Cl)Cl.c1ccccc1.
What is the InChIKey of benzene;chloroform?
The InChIKey is OWAQXCQNWNJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CHCl3/c1-2-4-6-5-3-1;2-1(3)4/h1-6H;1H.
What are the key properties of benzene;chloroform?
benzene;chloroform has a molecular weight of 197.49 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chloroform is sourced from PubChem (CID 22101329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).