bis(antimony(3+));N,N,2-tribromoaniline;hexachloride

C6H4Br3Cl6NSb2 — CID 175061094

IUPACbis(antimony(3+));N,N,2-tribromoaniline;hexachloride
SMILESBrc1ccccc1N(Br)Br.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sb+3].[Sb+3]
InChIInChI=1S/C6H4Br3N.6ClH.2Sb/c7-5-3-1-2-4-6(5)10(8)9;;;;;;;;/h1-4H;6*1H;;/q;;;;;;;2*+3/p-6
InChIKeyLTFZXVBGJOAGBO-UHFFFAOYSA-H
MW786.05 g/mol
LogP-14.86
Rot. Bonds1

About bis(antimony(3+));N,N,2-tribromoaniline;hexachloride

bis(antimony(3+));N,N,2-tribromoaniline;hexachloride (PubChem CID 175061094) has the molecular formula C6H4Br3Cl6NSb2 and a molecular weight of 786.05 g/mol. Its IUPAC name is bis(antimony(3+));N,N,2-tribromoaniline;hexachloride.

Molecular Properties

Compound Namebis(antimony(3+));N,N,2-tribromoaniline;hexachloride
PubChem CID175061094
Molecular FormulaC6H4Br3Cl6NSb2
Molecular Weight786.05 g/mol
Exact Mass778.41
IUPAC Namebis(antimony(3+));N,N,2-tribromoaniline;hexachloride
SMILESBrc1ccccc1N(Br)Br.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sb+3].[Sb+3]
InChIInChI=1S/C6H4Br3N.6ClH.2Sb/c7-5-3-1-2-4-6(5)10(8)9;;;;;;;;/h1-4H;6*1H;;/q;;;;;;;2*+3/p-6
InChIKeyLTFZXVBGJOAGBO-UHFFFAOYSA-H
XLogP-14.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500786.05
LogP ≤ 5-14.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(antimony(3+));N,N,2-tribromoaniline;hexachloride?
The IUPAC name of bis(antimony(3+));N,N,2-tribromoaniline;hexachloride (CID 175061094) is bis(antimony(3+));N,N,2-tribromoaniline;hexachloride.
What is the SMILES notation for bis(antimony(3+));N,N,2-tribromoaniline;hexachloride?
The canonical SMILES for bis(antimony(3+));N,N,2-tribromoaniline;hexachloride is Brc1ccccc1N(Br)Br.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sb+3].[Sb+3].
What is the InChIKey of bis(antimony(3+));N,N,2-tribromoaniline;hexachloride?
The InChIKey is LTFZXVBGJOAGBO-UHFFFAOYSA-H. The full InChI is InChI=1S/C6H4Br3N.6ClH.2Sb/c7-5-3-1-2-4-6(5)10(8)9;;;;;;;;/h1-4H;6*1H;;/q;;;;;;;2*+3/p-6.
What are the key properties of bis(antimony(3+));N,N,2-tribromoaniline;hexachloride?
bis(antimony(3+));N,N,2-tribromoaniline;hexachloride has a molecular weight of 786.05 g/mol, XLogP of -14.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(antimony(3+));N,N,2-tribromoaniline;hexachloride is sourced from PubChem (CID 175061094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).