4-acetyl-2-methoxycarbonylbenzenediazonium

C10H9N2O3+ — CID 134897387

IUPAC4-acetyl-2-methoxycarbonylbenzenediazonium
SMILESCOC(=O)c1cc(C(C)=O)ccc1[N+]#N
InChIInChI=1S/C10H9N2O3/c1-6(13)7-3-4-9(12-11)8(5-7)10(14)15-2/h3-5H,1-2H3/q+1
InChIKeyDSPVGZBPGMBVIJ-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.16
Rot. Bonds2

About 4-acetyl-2-methoxycarbonylbenzenediazonium

4-acetyl-2-methoxycarbonylbenzenediazonium (PubChem CID 134897387) has the molecular formula C10H9N2O3+ and a molecular weight of 205.19 g/mol. Its IUPAC name is 4-acetyl-2-methoxycarbonylbenzenediazonium.

Molecular Properties

Compound Name4-acetyl-2-methoxycarbonylbenzenediazonium
PubChem CID134897387
Molecular FormulaC10H9N2O3+
Molecular Weight205.19 g/mol
Exact Mass205.06
IUPAC Name4-acetyl-2-methoxycarbonylbenzenediazonium
SMILESCOC(=O)c1cc(C(C)=O)ccc1[N+]#N
InChIInChI=1S/C10H9N2O3/c1-6(13)7-3-4-9(12-11)8(5-7)10(14)15-2/h3-5H,1-2H3/q+1
InChIKeyDSPVGZBPGMBVIJ-UHFFFAOYSA-N
XLogP2.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
methyl 5-acetyl-2-(2,2,2-trifluoroethoxy)benzoate
CID 155887496
methyl 3-acetylbenzoate
CID 15094405
methyl 5-acetyl-2-pentoxybenzoate
CID 121004853
methyl 7-acetylquinoline-4-carboxylate
CID 170539761
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
4-methoxycarbonylbenzenediazonium tetrafluoroborate
CID 11776859
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
methyl 2,5-dicarbonochloridoylbenzoate
CID 54490915
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
5-chloro-2-methoxycarbonylbenzenediazonium;hydrogen sulfate
CID 11119972

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methoxycarbonylbenzenediazonium?
The IUPAC name of 4-acetyl-2-methoxycarbonylbenzenediazonium (CID 134897387) is 4-acetyl-2-methoxycarbonylbenzenediazonium.
What is the SMILES notation for 4-acetyl-2-methoxycarbonylbenzenediazonium?
The canonical SMILES for 4-acetyl-2-methoxycarbonylbenzenediazonium is COC(=O)c1cc(C(C)=O)ccc1[N+]#N.
What is the InChIKey of 4-acetyl-2-methoxycarbonylbenzenediazonium?
The InChIKey is DSPVGZBPGMBVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O3/c1-6(13)7-3-4-9(12-11)8(5-7)10(14)15-2/h3-5H,1-2H3/q+1.
What are the key properties of 4-acetyl-2-methoxycarbonylbenzenediazonium?
4-acetyl-2-methoxycarbonylbenzenediazonium has a molecular weight of 205.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methoxycarbonylbenzenediazonium is sourced from PubChem (CID 134897387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).