1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide

C7H6BrCl2Zn- — CID 90272355

IUPAC1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide
SMILESBr.Cl[CH-]c1ccccc1Cl.[Zn]
InChIInChI=1S/C7H5Cl2.BrH.Zn/c8-5-6-3-1-2-4-7(6)9;;/h1-5H;1H;/q-1;;
InChIKeyIPFCEVZGWAXZDB-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.66
Rot. Bonds1

About 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide

1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide (PubChem CID 90272355) has the molecular formula C7H6BrCl2Zn- and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide
PubChem CID90272355
Molecular FormulaC7H6BrCl2Zn-
Molecular Weight306.32 g/mol
Exact Mass302.83
IUPAC Name1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide
SMILESBr.Cl[CH-]c1ccccc1Cl.[Zn]
InChIInChI=1S/C7H5Cl2.BrH.Zn/c8-5-6-3-1-2-4-7(6)9;;/h1-5H;1H;/q-1;;
InChIKeyIPFCEVZGWAXZDB-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.66
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 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide?
The IUPAC name of 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide (CID 90272355) is 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide.
What is the SMILES notation for 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide?
The canonical SMILES for 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide is Br.Cl[CH-]c1ccccc1Cl.[Zn].
What is the InChIKey of 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide?
The InChIKey is IPFCEVZGWAXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2.BrH.Zn/c8-5-6-3-1-2-4-7(6)9;;/h1-5H;1H;/q-1;;.
What are the key properties of 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide?
1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide has a molecular weight of 306.32 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide is sourced from PubChem (CID 90272355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).