4-(carboxymethyl)benzenediazonium

C8H7N2O2+ — CID 12823324

IUPAC4-(carboxymethyl)benzenediazonium
SMILESN#[N+]c1ccc(CC(=O)O)cc1
InChIInChI=1S/C8H6N2O2/c9-10-7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2/p+1
InChIKeyBFQOYLUZFJNHJI-UHFFFAOYSA-O
MW163.16 g/mol
LogP1.80
Rot. Bonds2

About 4-(carboxymethyl)benzenediazonium

4-(carboxymethyl)benzenediazonium (PubChem CID 12823324) has the molecular formula C8H7N2O2+ and a molecular weight of 163.16 g/mol. Its IUPAC name is 4-(carboxymethyl)benzenediazonium.

Molecular Properties

Compound Name4-(carboxymethyl)benzenediazonium
PubChem CID12823324
Molecular FormulaC8H7N2O2+
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name4-(carboxymethyl)benzenediazonium
SMILESN#[N+]c1ccc(CC(=O)O)cc1
InChIInChI=1S/C8H6N2O2/c9-10-7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2/p+1
InChIKeyBFQOYLUZFJNHJI-UHFFFAOYSA-O
XLogP1.80
TPSA65.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(carboxymethyl)benzenediazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper 2-phenylacetic acid
CID 54609410
2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)benzenediazonium?
The IUPAC name of 4-(carboxymethyl)benzenediazonium (CID 12823324) is 4-(carboxymethyl)benzenediazonium.
What is the SMILES notation for 4-(carboxymethyl)benzenediazonium?
The canonical SMILES for 4-(carboxymethyl)benzenediazonium is N#[N+]c1ccc(CC(=O)O)cc1.
What is the InChIKey of 4-(carboxymethyl)benzenediazonium?
The InChIKey is BFQOYLUZFJNHJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6N2O2/c9-10-7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2/p+1.
What are the key properties of 4-(carboxymethyl)benzenediazonium?
4-(carboxymethyl)benzenediazonium has a molecular weight of 163.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)benzenediazonium is sourced from PubChem (CID 12823324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).