(NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine

C8H6Br3NO — CID 10690627

IUPAC(NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Br)cc1)C(Br)Br
InChIInChI=1S/C8H6Br3NO/c9-6-3-1-5(2-4-6)7(12-13)8(10)11/h1-4,8,13H/b12-7-
InChIKeyRQTLFVVHCKFXEF-GHXNOFRVSA-N
MW371.85 g/mol
LogP3.74
Rot. Bonds2

About (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine (PubChem CID 10690627) has the molecular formula C8H6Br3NO and a molecular weight of 371.85 g/mol. Its IUPAC name is (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine
PubChem CID10690627
Molecular FormulaC8H6Br3NO
Molecular Weight371.85 g/mol
Exact Mass368.80
IUPAC Name(NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Br)cc1)C(Br)Br
InChIInChI=1S/C8H6Br3NO/c9-6-3-1-5(2-4-6)7(12-13)8(10)11/h1-4,8,13H/b12-7-
InChIKeyRQTLFVVHCKFXEF-GHXNOFRVSA-N
XLogP3.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine (CID 10690627) is (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine is O/N=C(/c1ccc(Br)cc1)C(Br)Br.
What is the InChIKey of (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine?
The InChIKey is RQTLFVVHCKFXEF-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H6Br3NO/c9-6-3-1-5(2-4-6)7(12-13)8(10)11/h1-4,8,13H/b12-7-.
What are the key properties of (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine has a molecular weight of 371.85 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2-dibromo-1-(4-bromophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 10690627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).