2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium

C13H10Cl2N3O+ — CID 88715859

IUPAC2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium
SMILESCc1cc(Cl)c(N)c([N+]#N)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N3O/c1-7-6-10(15)11(16)12(18-17)13(7)19-9-4-2-8(14)3-5-9/h2-6H,16H2,1H3/q+1
InChIKeyYDWTZCHRVKJSJF-UHFFFAOYSA-N
MW295.15 g/mol
LogP5.16
Rot. Bonds2

About 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium

2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium (PubChem CID 88715859) has the molecular formula C13H10Cl2N3O+ and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium.

Molecular Properties

Compound Name2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium
PubChem CID88715859
Molecular FormulaC13H10Cl2N3O+
Molecular Weight295.15 g/mol
Exact Mass294.02
IUPAC Name2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium
SMILESCc1cc(Cl)c(N)c([N+]#N)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N3O/c1-7-6-10(15)11(16)12(18-17)13(7)19-9-4-2-8(14)3-5-9/h2-6H,16H2,1H3/q+1
InChIKeyYDWTZCHRVKJSJF-UHFFFAOYSA-N
XLogP5.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.15
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097
5-(4-chlorophenoxy)-2-methylaniline
CID 91301479
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
zinc;2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;tetrachloride
CID 170840437
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
4-chloro-2-(3,4-difluorophenoxy)-3-methylaniline
CID 112740952
4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
CID 15373716
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
4-chloro-3-methyl-2-(4-methylphenoxy)aniline
CID 112740948

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium?
The IUPAC name of 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium (CID 88715859) is 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium.
What is the SMILES notation for 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium?
The canonical SMILES for 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium is Cc1cc(Cl)c(N)c([N+]#N)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium?
The InChIKey is YDWTZCHRVKJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N3O/c1-7-6-10(15)11(16)12(18-17)13(7)19-9-4-2-8(14)3-5-9/h2-6H,16H2,1H3/q+1.
What are the key properties of 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium?
2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium has a molecular weight of 295.15 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium is sourced from PubChem (CID 88715859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).