3-chloro-4-(diethoxyamino)benzenediazonium chloride

C10H13Cl2N3O2 — CID 158111137

IUPAC3-chloro-4-(diethoxyamino)benzenediazonium chloride
SMILESCCON(OCC)c1ccc([N+]#N)cc1Cl.[Cl-]
InChIInChI=1S/C10H13ClN3O2.ClH/c1-3-15-14(16-4-2)10-6-5-8(13-12)7-9(10)11;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyFQLGOBAVLNXDTG-UHFFFAOYSA-M
MW278.14 g/mol
LogP0.54
Rot. Bonds5

About 3-chloro-4-(diethoxyamino)benzenediazonium chloride

3-chloro-4-(diethoxyamino)benzenediazonium chloride (PubChem CID 158111137) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-chloro-4-(diethoxyamino)benzenediazonium chloride.

Molecular Properties

Compound Name3-chloro-4-(diethoxyamino)benzenediazonium chloride
PubChem CID158111137
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name3-chloro-4-(diethoxyamino)benzenediazonium chloride
SMILESCCON(OCC)c1ccc([N+]#N)cc1Cl.[Cl-]
InChIInChI=1S/C10H13ClN3O2.ClH/c1-3-15-14(16-4-2)10-6-5-8(13-12)7-9(10)11;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyFQLGOBAVLNXDTG-UHFFFAOYSA-M
XLogP0.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(diethoxyamino)benzenediazonium chloride?
The IUPAC name of 3-chloro-4-(diethoxyamino)benzenediazonium chloride (CID 158111137) is 3-chloro-4-(diethoxyamino)benzenediazonium chloride.
What is the SMILES notation for 3-chloro-4-(diethoxyamino)benzenediazonium chloride?
The canonical SMILES for 3-chloro-4-(diethoxyamino)benzenediazonium chloride is CCON(OCC)c1ccc([N+]#N)cc1Cl.[Cl-].
What is the InChIKey of 3-chloro-4-(diethoxyamino)benzenediazonium chloride?
The InChIKey is FQLGOBAVLNXDTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13ClN3O2.ClH/c1-3-15-14(16-4-2)10-6-5-8(13-12)7-9(10)11;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 3-chloro-4-(diethoxyamino)benzenediazonium chloride?
3-chloro-4-(diethoxyamino)benzenediazonium chloride has a molecular weight of 278.14 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(diethoxyamino)benzenediazonium chloride is sourced from PubChem (CID 158111137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).