CID 156594021

C8H9ClZn- — CID 156594021

IUPAC—
SMILESC=C1[CH]C=CC=C1C.[Cl-].[Zn]
InChIInChI=1S/C8H9.ClH.Zn/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/p-1
InChIKeyBLGDXUKAJUTTLC-UHFFFAOYSA-M
MW206.00 g/mol
LogP-0.74
Rot. Bonds

About CID 156594021

CID 156594021 (PubChem CID 156594021) has the molecular formula C8H9ClZn- and a molecular weight of 206.00 g/mol.

Molecular Properties

Compound NameCID 156594021
PubChem CID156594021
Molecular FormulaC8H9ClZn-
Molecular Weight206.00 g/mol
Exact Mass203.97
IUPAC Name—
SMILESC=C1[CH]C=CC=C1C.[Cl-].[Zn]
InChIInChI=1S/C8H9.ClH.Zn/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/p-1
InChIKeyBLGDXUKAJUTTLC-UHFFFAOYSA-M
XLogP-0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.00
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156594021?
The IUPAC name of CID 156594021 (CID 156594021) is not available.
What is the SMILES notation for CID 156594021?
The canonical SMILES for CID 156594021 is C=C1[CH]C=CC=C1C.[Cl-].[Zn].
What is the InChIKey of CID 156594021?
The InChIKey is BLGDXUKAJUTTLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.ClH.Zn/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/p-1.
What are the key properties of CID 156594021?
CID 156594021 has a molecular weight of 206.00 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156594021 is sourced from PubChem (CID 156594021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).