3-carboxy-4-nitrobenzenediazonium

C7H4N3O4+ — CID 87256955

IUPAC3-carboxy-4-nitrobenzenediazonium
SMILESN#[N+]c1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIInChI=1S/C7H3N3O4/c8-9-4-1-2-6(10(13)14)5(3-4)7(11)12/h1-3H/p+1
InChIKeyLDHWRABIOBERKO-UHFFFAOYSA-O
MW194.13 g/mol
LogP1.78
Rot. Bonds2

About 3-carboxy-4-nitrobenzenediazonium

3-carboxy-4-nitrobenzenediazonium (PubChem CID 87256955) has the molecular formula C7H4N3O4+ and a molecular weight of 194.13 g/mol. Its IUPAC name is 3-carboxy-4-nitrobenzenediazonium.

Molecular Properties

Compound Name3-carboxy-4-nitrobenzenediazonium
PubChem CID87256955
Molecular FormulaC7H4N3O4+
Molecular Weight194.13 g/mol
Exact Mass194.02
IUPAC Name3-carboxy-4-nitrobenzenediazonium
SMILESN#[N+]c1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIInChI=1S/C7H3N3O4/c8-9-4-1-2-6(10(13)14)5(3-4)7(11)12/h1-3H/p+1
InChIKeyLDHWRABIOBERKO-UHFFFAOYSA-O
XLogP1.78
TPSA108.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-carboxy-4-diazoniophenolate
CID 54682470
CID 131882464
CID 131882464
5-[(3-carboxy-4-nitrophenyl)methyl]-2-nitrobenzoic acid
CID 177311055
5-[(3-carboxy-4-nitrophenyl)diselanyl]-2-nitrobenzoic acid
CID 51354468
3-bromo-4-nitrobenzenediazonium tetrafluoroborate
CID 12714781
4-fluoro-3-nitrobenzenediazonium
CID 10901209
(3-carboxy-4-nitrophenyl)-trimethylazanium
CID 50991259
CID 91046691
CID 91046691
benzene;2-nitrobenzoic acid
CID 19891435
5-(hydroxyiminomethyl)-2-nitrobenzoic acid
CID 172829648
2-nitro-5-(1,2,4-trihydroxybutyl)benzoic acid
CID 171873213
5-(2,2-dicyanoethenylamino)-2-nitrobenzoic acid
CID 168541449

Frequently Asked Questions

What is the IUPAC name of 3-carboxy-4-nitrobenzenediazonium?
The IUPAC name of 3-carboxy-4-nitrobenzenediazonium (CID 87256955) is 3-carboxy-4-nitrobenzenediazonium.
What is the SMILES notation for 3-carboxy-4-nitrobenzenediazonium?
The canonical SMILES for 3-carboxy-4-nitrobenzenediazonium is N#[N+]c1ccc([N+](=O)[O-])c(C(=O)O)c1.
What is the InChIKey of 3-carboxy-4-nitrobenzenediazonium?
The InChIKey is LDHWRABIOBERKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H3N3O4/c8-9-4-1-2-6(10(13)14)5(3-4)7(11)12/h1-3H/p+1.
What are the key properties of 3-carboxy-4-nitrobenzenediazonium?
3-carboxy-4-nitrobenzenediazonium has a molecular weight of 194.13 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-4-nitrobenzenediazonium is sourced from PubChem (CID 87256955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).