4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride

C13H12Cl3N3OZn — CID 90659613

IUPAC4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride
SMILESC=O.Cl[Zn]Cl.N#[N+]c1ccc(Nc2ccccc2)cc1.[Cl-]
InChIInChI=1S/C12H10N3.CH2O.3ClH.Zn/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-2;;;;/h1-9,14H;1H2;3*1H;/q+1;;;;;+2/p-3
InChIKeyWKZCLRUFKFBYAR-UHFFFAOYSA-K
MW398.01 g/mol
LogP2.11
Rot. Bonds2

About 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride

4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride (PubChem CID 90659613) has the molecular formula C13H12Cl3N3OZn and a molecular weight of 398.01 g/mol. Its IUPAC name is 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride.

Molecular Properties

Compound Name4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride
PubChem CID90659613
Molecular FormulaC13H12Cl3N3OZn
Molecular Weight398.01 g/mol
Exact Mass394.93
IUPAC Name4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride
SMILESC=O.Cl[Zn]Cl.N#[N+]c1ccc(Nc2ccccc2)cc1.[Cl-]
InChIInChI=1S/C12H10N3.CH2O.3ClH.Zn/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-2;;;;/h1-9,14H;1H2;3*1H;/q+1;;;;;+2/p-3
InChIKeyWKZCLRUFKFBYAR-UHFFFAOYSA-K
XLogP2.11
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.01
LogP ≤ 52.11
H-Bond Donors ≤ 51
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

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2-anilino-5-diazoniobenzenesulfonate
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4-anilino-3-(phenylsulfamoyl)benzenediazonium
CID 88786798
N-phenylaniline;sulfuric acid
CID 11486
4-iodo-N-phenylaniline
CID 11471947
1,1-difluoroethene;N-phenylaniline
CID 175173437
4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130257356
benzene;4-methylbenzenediazonium
CID 160516571
4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
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dihydroxy(oxo)phosphanium;N-phenylaniline
CID 174642571

Frequently Asked Questions

What is the IUPAC name of 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride?
The IUPAC name of 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride (CID 90659613) is 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride.
What is the SMILES notation for 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride?
The canonical SMILES for 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride is C=O.Cl[Zn]Cl.N#[N+]c1ccc(Nc2ccccc2)cc1.[Cl-].
What is the InChIKey of 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride?
The InChIKey is WKZCLRUFKFBYAR-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10N3.CH2O.3ClH.Zn/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-2;;;;/h1-9,14H;1H2;3*1H;/q+1;;;;;+2/p-3.
What are the key properties of 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride?
4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride has a molecular weight of 398.01 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride is sourced from PubChem (CID 90659613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).