benzene chloride

C6H6Cl- — CID 22259851

IUPACbenzene chloride
SMILES[Cl-].c1ccccc1
InChIInChI=1S/C6H6.ClH/c1-2-4-6-5-3-1;/h1-6H;1H/p-1
InChIKeyZPHQBFRCXUIIAZ-UHFFFAOYSA-M
MW113.57 g/mol
LogP-1.31
Rot. Bonds

About benzene chloride

benzene chloride (PubChem CID 22259851) has the molecular formula C6H6Cl- and a molecular weight of 113.57 g/mol. Its IUPAC name is benzene chloride.

Molecular Properties

Compound Namebenzene chloride
PubChem CID22259851
Molecular FormulaC6H6Cl-
Molecular Weight113.57 g/mol
Exact Mass113.02
IUPAC Namebenzene chloride
SMILES[Cl-].c1ccccc1
InChIInChI=1S/C6H6.ClH/c1-2-4-6-5-3-1;/h1-6H;1H/p-1
InChIKeyZPHQBFRCXUIIAZ-UHFFFAOYSA-M
XLogP-1.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.57
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene chloride?
The IUPAC name of benzene chloride (CID 22259851) is benzene chloride.
What is the SMILES notation for benzene chloride?
The canonical SMILES for benzene chloride is [Cl-].c1ccccc1.
What is the InChIKey of benzene chloride?
The InChIKey is ZPHQBFRCXUIIAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6.ClH/c1-2-4-6-5-3-1;/h1-6H;1H/p-1.
What are the key properties of benzene chloride?
benzene chloride has a molecular weight of 113.57 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene chloride is sourced from PubChem (CID 22259851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).