2-ethoxycarbonylbenzenediazonium tetrafluoroborate

C9H9BF4N2O2 — CID 11065296

IUPAC2-ethoxycarbonylbenzenediazonium tetrafluoroborate
SMILESCCOC(=O)c1ccccc1[N+]#N.F[B-](F)(F)F
InChIInChI=1S/C9H9N2O2.BF4/c1-2-13-9(12)7-5-3-4-6-8(7)11-10;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1
InChIKeyCQVUDNYOWDKWGR-UHFFFAOYSA-N
MW263.99 g/mol
LogP3.65
Rot. Bonds2

About 2-ethoxycarbonylbenzenediazonium tetrafluoroborate

2-ethoxycarbonylbenzenediazonium tetrafluoroborate (PubChem CID 11065296) has the molecular formula C9H9BF4N2O2 and a molecular weight of 263.99 g/mol. Its IUPAC name is 2-ethoxycarbonylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-ethoxycarbonylbenzenediazonium tetrafluoroborate
PubChem CID11065296
Molecular FormulaC9H9BF4N2O2
Molecular Weight263.99 g/mol
Exact Mass264.07
IUPAC Name2-ethoxycarbonylbenzenediazonium tetrafluoroborate
SMILESCCOC(=O)c1ccccc1[N+]#N.F[B-](F)(F)F
InChIInChI=1S/C9H9N2O2.BF4/c1-2-13-9(12)7-5-3-4-6-8(7)11-10;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1
InChIKeyCQVUDNYOWDKWGR-UHFFFAOYSA-N
XLogP3.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.99
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxycarbonylnaphthalene-2-diazonium
CID 3698524
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane
CID 174586707
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonylbenzenediazonium tetrafluoroborate?
The IUPAC name of 2-ethoxycarbonylbenzenediazonium tetrafluoroborate (CID 11065296) is 2-ethoxycarbonylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-ethoxycarbonylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 2-ethoxycarbonylbenzenediazonium tetrafluoroborate is CCOC(=O)c1ccccc1[N+]#N.F[B-](F)(F)F.
What is the InChIKey of 2-ethoxycarbonylbenzenediazonium tetrafluoroborate?
The InChIKey is CQVUDNYOWDKWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O2.BF4/c1-2-13-9(12)7-5-3-4-6-8(7)11-10;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1.
What are the key properties of 2-ethoxycarbonylbenzenediazonium tetrafluoroborate?
2-ethoxycarbonylbenzenediazonium tetrafluoroborate has a molecular weight of 263.99 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 11065296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).