1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide

C7H7BrClOZn- — CID 175541327

IUPAC1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide
SMILESBr.COc1[c-]ccc(Cl)c1.[Zn]
InChIInChI=1S/C7H6ClO.BrH.Zn/c1-9-7-4-2-3-6(8)5-7;;/h2-3,5H,1H3;1H;/q-1;;
InChIKeyIOGSFLMEKRKLRE-UHFFFAOYSA-N
MW287.88 g/mol
LogP2.72
Rot. Bonds1

About 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide

1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide (PubChem CID 175541327) has the molecular formula C7H7BrClOZn- and a molecular weight of 287.88 g/mol. Its IUPAC name is 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide.

Molecular Properties

Compound Name1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide
PubChem CID175541327
Molecular FormulaC7H7BrClOZn-
Molecular Weight287.88 g/mol
Exact Mass284.87
IUPAC Name1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide
SMILESBr.COc1[c-]ccc(Cl)c1.[Zn]
InChIInChI=1S/C7H6ClO.BrH.Zn/c1-9-7-4-2-3-6(8)5-7;;/h2-3,5H,1H3;1H;/q-1;;
InChIKeyIOGSFLMEKRKLRE-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-3-methoxybenzene-4-ide;zinc;hydrobromide?
The IUPAC name of 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide (CID 175541327) is 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide.
What is the SMILES notation for 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide?
The canonical SMILES for 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide is Br.COc1[c-]ccc(Cl)c1.[Zn].
What is the InChIKey of 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide?
The InChIKey is IOGSFLMEKRKLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClO.BrH.Zn/c1-9-7-4-2-3-6(8)5-7;;/h2-3,5H,1H3;1H;/q-1;;.
What are the key properties of 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide?
1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide has a molecular weight of 287.88 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxybenzene-4-ide;zinc;hydrobromide is sourced from PubChem (CID 175541327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).