chloromethane;chloromethylbenzene

C8H10Cl2 — CID 22061591

IUPACchloromethane;chloromethylbenzene
SMILESCCl.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.CH3Cl/c8-6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1H3
InChIKeyMMIVZWZHLDUCKH-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.28
Rot. Bonds1

About chloromethane;chloromethylbenzene

chloromethane;chloromethylbenzene (PubChem CID 22061591) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is chloromethane;chloromethylbenzene.

Molecular Properties

Compound Namechloromethane;chloromethylbenzene
PubChem CID22061591
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Namechloromethane;chloromethylbenzene
SMILESCCl.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.CH3Cl/c8-6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1H3
InChIKeyMMIVZWZHLDUCKH-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.28
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 chloromethane;chloromethylbenzene?
The IUPAC name of chloromethane;chloromethylbenzene (CID 22061591) is chloromethane;chloromethylbenzene.
What is the SMILES notation for chloromethane;chloromethylbenzene?
The canonical SMILES for chloromethane;chloromethylbenzene is CCl.ClCc1ccccc1.
What is the InChIKey of chloromethane;chloromethylbenzene?
The InChIKey is MMIVZWZHLDUCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.CH3Cl/c8-6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1H3.
What are the key properties of chloromethane;chloromethylbenzene?
chloromethane;chloromethylbenzene has a molecular weight of 177.07 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;chloromethylbenzene is sourced from PubChem (CID 22061591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).