3,4-dimethoxybenzenediazonium chloride

C8H9ClN2O2 — CID 15840191

IUPAC3,4-dimethoxybenzenediazonium chloride
SMILESCOc1ccc([N+]#N)cc1OC.[Cl-]
InChIInChI=1S/C8H9N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5H,1-2H3;1H/q+1;/p-1
InChIKeyIYGXHBWOFMEULP-UHFFFAOYSA-M
MW200.63 g/mol
LogP-0.81
Rot. Bonds2

About 3,4-dimethoxybenzenediazonium chloride

3,4-dimethoxybenzenediazonium chloride (PubChem CID 15840191) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 3,4-dimethoxybenzenediazonium chloride.

Molecular Properties

Compound Name3,4-dimethoxybenzenediazonium chloride
PubChem CID15840191
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name3,4-dimethoxybenzenediazonium chloride
SMILESCOc1ccc([N+]#N)cc1OC.[Cl-]
InChIInChI=1S/C8H9N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5H,1-2H3;1H/q+1;/p-1
InChIKeyIYGXHBWOFMEULP-UHFFFAOYSA-M
XLogP-0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(acetyloxymethyl)-4-methoxybenzenediazonium;hydrogen sulfate
CID 134878131
potassium 3,4-dimethoxyphenolate
CID 23662144
5-(dimethylamino)-2-methoxybenzenediazonium
CID 57013987
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
4-isocyano-2-methoxy-1-methylbenzene
CID 58757440
sodium;3,4-dimethoxybenzenethiol;hydride
CID 175319936
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
2-carboxy-4,5-dimethoxybenzenediazonium chloride
CID 13163159
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
CID 118692692
CID 118692692
N-(3,4-dimethoxyphenyl)methanethioamide
CID 23047574

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzenediazonium chloride?
The IUPAC name of 3,4-dimethoxybenzenediazonium chloride (CID 15840191) is 3,4-dimethoxybenzenediazonium chloride.
What is the SMILES notation for 3,4-dimethoxybenzenediazonium chloride?
The canonical SMILES for 3,4-dimethoxybenzenediazonium chloride is COc1ccc([N+]#N)cc1OC.[Cl-].
What is the InChIKey of 3,4-dimethoxybenzenediazonium chloride?
The InChIKey is IYGXHBWOFMEULP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5H,1-2H3;1H/q+1;/p-1.
What are the key properties of 3,4-dimethoxybenzenediazonium chloride?
3,4-dimethoxybenzenediazonium chloride has a molecular weight of 200.63 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybenzenediazonium chloride is sourced from PubChem (CID 15840191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).