4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine

C12H10Cl4N4 — CID 54009491

IUPAC4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine
SMILESNc1ccc(-c2c(N)c(N)c(N)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl4N4/c13-6-3(1-2-4(17)7(6)14)5-8(15)9(16)11(19)12(20)10(5)18/h1-2H,17-20H2
InChIKeyKRGZFDSEUZCSAT-UHFFFAOYSA-N
MW352.05 g/mol
LogP4.30
Rot. Bonds1

About 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine

4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine (PubChem CID 54009491) has the molecular formula C12H10Cl4N4 and a molecular weight of 352.05 g/mol. Its IUPAC name is 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine.

Molecular Properties

Compound Name4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine
PubChem CID54009491
Molecular FormulaC12H10Cl4N4
Molecular Weight352.05 g/mol
Exact Mass349.97
IUPAC Name4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine
SMILESNc1ccc(-c2c(N)c(N)c(N)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl4N4/c13-6-3(1-2-4(17)7(6)14)5-8(15)9(16)11(19)12(20)10(5)18/h1-2H,17-20H2
InChIKeyKRGZFDSEUZCSAT-UHFFFAOYSA-N
XLogP4.30
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.05
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine?
The IUPAC name of 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine (CID 54009491) is 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine.
What is the SMILES notation for 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine?
The canonical SMILES for 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine is Nc1ccc(-c2c(N)c(N)c(N)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine?
The InChIKey is KRGZFDSEUZCSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4N4/c13-6-3(1-2-4(17)7(6)14)5-8(15)9(16)11(19)12(20)10(5)18/h1-2H,17-20H2.
What are the key properties of 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine?
4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine has a molecular weight of 352.05 g/mol, XLogP of 4.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine is sourced from PubChem (CID 54009491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).