benzene;hydrochloride

C6H7Cl — CID 18419931

IUPACbenzene;hydrochloride
SMILESCl.c1ccccc1
InChIInChI=1S/C6H6.ClH/c1-2-4-6-5-3-1;/h1-6H;1H
InChIKeyZPHQBFRCXUIIAZ-UHFFFAOYSA-N
MW114.57 g/mol
LogP2.11
Rot. Bonds

About benzene;hydrochloride

benzene;hydrochloride (PubChem CID 18419931) has the molecular formula C6H7Cl and a molecular weight of 114.57 g/mol. Its IUPAC name is benzene;hydrochloride.

Molecular Properties

Compound Namebenzene;hydrochloride
PubChem CID18419931
Molecular FormulaC6H7Cl
Molecular Weight114.57 g/mol
Exact Mass114.02
IUPAC Namebenzene;hydrochloride
SMILESCl.c1ccccc1
InChIInChI=1S/C6H6.ClH/c1-2-4-6-5-3-1;/h1-6H;1H
InChIKeyZPHQBFRCXUIIAZ-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.57
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;hydrochloride?
The IUPAC name of benzene;hydrochloride (CID 18419931) is benzene;hydrochloride.
What is the SMILES notation for benzene;hydrochloride?
The canonical SMILES for benzene;hydrochloride is Cl.c1ccccc1.
What is the InChIKey of benzene;hydrochloride?
The InChIKey is ZPHQBFRCXUIIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.ClH/c1-2-4-6-5-3-1;/h1-6H;1H.
What are the key properties of benzene;hydrochloride?
benzene;hydrochloride has a molecular weight of 114.57 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hydrochloride is sourced from PubChem (CID 18419931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).