4-(4-nitrobenzoyl)benzenediazonium

C13H8N3O3+ — CID 18435097

IUPAC4-(4-nitrobenzoyl)benzenediazonium
SMILESN#[N+]c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H8N3O3/c14-15-11-5-1-9(2-6-11)13(17)10-3-7-12(8-4-10)16(18)19/h1-8H/q+1
InChIKeyUQCFWKXUGXVAKJ-UHFFFAOYSA-N
MW254.23 g/mol
LogP3.31
Rot. Bonds3

About 4-(4-nitrobenzoyl)benzenediazonium

4-(4-nitrobenzoyl)benzenediazonium (PubChem CID 18435097) has the molecular formula C13H8N3O3+ and a molecular weight of 254.23 g/mol. Its IUPAC name is 4-(4-nitrobenzoyl)benzenediazonium.

Molecular Properties

Compound Name4-(4-nitrobenzoyl)benzenediazonium
PubChem CID18435097
Molecular FormulaC13H8N3O3+
Molecular Weight254.23 g/mol
Exact Mass254.06
IUPAC Name4-(4-nitrobenzoyl)benzenediazonium
SMILESN#[N+]c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H8N3O3/c14-15-11-5-1-9(2-6-11)13(17)10-3-7-12(8-4-10)16(18)19/h1-8H/q+1
InChIKeyUQCFWKXUGXVAKJ-UHFFFAOYSA-N
XLogP3.31
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
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

boric acid;4-nitrobenzenediazonium;hydrofluoride
CID 174435045
4-(4-nitrobenzoyl)benzoate
CID 6943506
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
(4-nitrophenyl)-(4-sulfanylphenyl)methanone
CID 14374022
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
4-(4-nitrobenzoyl)benzoic acid;trioxochromium
CID 174849994
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
carbamodithioic acid;(4-nitrophenyl)-phenylmethanone
CID 174955967
methyl 4-(4-nitrobenzoyl)benzoate
CID 596153
(4-nitrophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanone
CID 15555294
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrobenzoyl)benzenediazonium?
The IUPAC name of 4-(4-nitrobenzoyl)benzenediazonium (CID 18435097) is 4-(4-nitrobenzoyl)benzenediazonium.
What is the SMILES notation for 4-(4-nitrobenzoyl)benzenediazonium?
The canonical SMILES for 4-(4-nitrobenzoyl)benzenediazonium is N#[N+]c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(4-nitrobenzoyl)benzenediazonium?
The InChIKey is UQCFWKXUGXVAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N3O3/c14-15-11-5-1-9(2-6-11)13(17)10-3-7-12(8-4-10)16(18)19/h1-8H/q+1.
What are the key properties of 4-(4-nitrobenzoyl)benzenediazonium?
4-(4-nitrobenzoyl)benzenediazonium has a molecular weight of 254.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrobenzoyl)benzenediazonium is sourced from PubChem (CID 18435097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).