2-(oxaziridin-3-yl)phenol;trichlorochromium

C7H7Cl3CrNO2 — CID 175156745

IUPAC2-(oxaziridin-3-yl)phenol;trichlorochromium
SMILESCl[Cr](Cl)Cl.Oc1ccccc1C1NO1
InChIInChI=1S/C7H7NO2.3ClH.Cr/c9-6-4-2-1-3-5(6)7-8-10-7;;;;/h1-4,7-9H;3*1H;/q;;;;+3/p-3
InChIKeyJZNBMKUJDGJTGB-UHFFFAOYSA-K
MW295.49 g/mol
LogP2.99
Rot. Bonds1

About 2-(oxaziridin-3-yl)phenol;trichlorochromium

2-(oxaziridin-3-yl)phenol;trichlorochromium (PubChem CID 175156745) has the molecular formula C7H7Cl3CrNO2 and a molecular weight of 295.49 g/mol. Its IUPAC name is 2-(oxaziridin-3-yl)phenol;trichlorochromium.

Molecular Properties

Compound Name2-(oxaziridin-3-yl)phenol;trichlorochromium
PubChem CID175156745
Molecular FormulaC7H7Cl3CrNO2
Molecular Weight295.49 g/mol
Exact Mass293.89
IUPAC Name2-(oxaziridin-3-yl)phenol;trichlorochromium
SMILESCl[Cr](Cl)Cl.Oc1ccccc1C1NO1
InChIInChI=1S/C7H7NO2.3ClH.Cr/c9-6-4-2-1-3-5(6)7-8-10-7;;;;/h1-4,7-9H;3*1H;/q;;;;+3/p-3
InChIKeyJZNBMKUJDGJTGB-UHFFFAOYSA-K
XLogP2.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxaziridin-3-yl)phenol;trichlorochromium?
The IUPAC name of 2-(oxaziridin-3-yl)phenol;trichlorochromium (CID 175156745) is 2-(oxaziridin-3-yl)phenol;trichlorochromium.
What is the SMILES notation for 2-(oxaziridin-3-yl)phenol;trichlorochromium?
The canonical SMILES for 2-(oxaziridin-3-yl)phenol;trichlorochromium is Cl[Cr](Cl)Cl.Oc1ccccc1C1NO1.
What is the InChIKey of 2-(oxaziridin-3-yl)phenol;trichlorochromium?
The InChIKey is JZNBMKUJDGJTGB-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H7NO2.3ClH.Cr/c9-6-4-2-1-3-5(6)7-8-10-7;;;;/h1-4,7-9H;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-(oxaziridin-3-yl)phenol;trichlorochromium?
2-(oxaziridin-3-yl)phenol;trichlorochromium has a molecular weight of 295.49 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxaziridin-3-yl)phenol;trichlorochromium is sourced from PubChem (CID 175156745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).