zinc;methylbenzene;chloride

C7H7ClZn — CID 22283008

IUPACzinc;methylbenzene;chloride
SMILESCc1[c-]cccc1.[Cl-].[Zn+2]
InChIInChI=1S/C7H7.ClH.Zn/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyMFWTZPHPCBLWAH-UHFFFAOYSA-M
MW191.98 g/mol
LogP-1.20
Rot. Bonds

About zinc;methylbenzene;chloride

zinc;methylbenzene;chloride (PubChem CID 22283008) has the molecular formula C7H7ClZn and a molecular weight of 191.98 g/mol. Its IUPAC name is zinc;methylbenzene;chloride.

Molecular Properties

Compound Namezinc;methylbenzene;chloride
PubChem CID22283008
Molecular FormulaC7H7ClZn
Molecular Weight191.98 g/mol
Exact Mass189.95
IUPAC Namezinc;methylbenzene;chloride
SMILESCc1[c-]cccc1.[Cl-].[Zn+2]
InChIInChI=1S/C7H7.ClH.Zn/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyMFWTZPHPCBLWAH-UHFFFAOYSA-M
XLogP-1.20
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 ≤ 5-1.20
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 zinc;methylbenzene;chloride?
The IUPAC name of zinc;methylbenzene;chloride (CID 22283008) is zinc;methylbenzene;chloride.
What is the SMILES notation for zinc;methylbenzene;chloride?
The canonical SMILES for zinc;methylbenzene;chloride is Cc1[c-]cccc1.[Cl-].[Zn+2].
What is the InChIKey of zinc;methylbenzene;chloride?
The InChIKey is MFWTZPHPCBLWAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.ClH.Zn/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;methylbenzene;chloride?
zinc;methylbenzene;chloride has a molecular weight of 191.98 g/mol, XLogP of -1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;methylbenzene;chloride is sourced from PubChem (CID 22283008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).