chlorozinc(1+);methylbenzene

C7H7ClZn — CID 10943309

IUPACchlorozinc(1+);methylbenzene
SMILESCc1c[c-]ccc1.Cl[Zn+]
InChIInChI=1S/C7H7.ClH.Zn/c1-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyRNYRYHRDZZQRTD-UHFFFAOYSA-M
MW191.98 g/mol
LogP2.48
Rot. Bonds

About chlorozinc(1+);methylbenzene

chlorozinc(1+);methylbenzene (PubChem CID 10943309) has the molecular formula C7H7ClZn and a molecular weight of 191.98 g/mol. Its IUPAC name is chlorozinc(1+);methylbenzene.

Molecular Properties

Compound Namechlorozinc(1+);methylbenzene
PubChem CID10943309
Molecular FormulaC7H7ClZn
Molecular Weight191.98 g/mol
Exact Mass189.95
IUPAC Namechlorozinc(1+);methylbenzene
SMILESCc1c[c-]ccc1.Cl[Zn+]
InChIInChI=1S/C7H7.ClH.Zn/c1-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyRNYRYHRDZZQRTD-UHFFFAOYSA-M
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);methylbenzene?
The IUPAC name of chlorozinc(1+);methylbenzene (CID 10943309) is chlorozinc(1+);methylbenzene.
What is the SMILES notation for chlorozinc(1+);methylbenzene?
The canonical SMILES for chlorozinc(1+);methylbenzene is Cc1c[c-]ccc1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);methylbenzene?
The InChIKey is RNYRYHRDZZQRTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.ClH.Zn/c1-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);methylbenzene?
chlorozinc(1+);methylbenzene has a molecular weight of 191.98 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);methylbenzene is sourced from PubChem (CID 10943309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).