5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium

C15H12BrN2O+ — CID 154709949

IUPAC5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium
SMILESN#[N+]c1cc(Br)ccc1OC/C=C/c1ccccc1
InChIInChI=1S/C15H12BrN2O/c16-13-8-9-15(14(11-13)18-17)19-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2/q+1/b7-4+
InChIKeyJSYBORNVULCDMU-QPJJXVBHSA-N
MW316.18 g/mol
LogP5.03
Rot. Bonds4

About 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium

5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium (PubChem CID 154709949) has the molecular formula C15H12BrN2O+ and a molecular weight of 316.18 g/mol. Its IUPAC name is 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium.

Molecular Properties

Compound Name5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium
PubChem CID154709949
Molecular FormulaC15H12BrN2O+
Molecular Weight316.18 g/mol
Exact Mass315.01
IUPAC Name5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium
SMILESN#[N+]c1cc(Br)ccc1OC/C=C/c1ccccc1
InChIInChI=1S/C15H12BrN2O/c16-13-8-9-15(14(11-13)18-17)19-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2/q+1/b7-4+
InChIKeyJSYBORNVULCDMU-QPJJXVBHSA-N
XLogP5.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.18
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium?
The IUPAC name of 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium (CID 154709949) is 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium.
What is the SMILES notation for 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium?
The canonical SMILES for 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium is N#[N+]c1cc(Br)ccc1OC/C=C/c1ccccc1.
What is the InChIKey of 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium?
The InChIKey is JSYBORNVULCDMU-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H12BrN2O/c16-13-8-9-15(14(11-13)18-17)19-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2/q+1/b7-4+.
What are the key properties of 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium?
5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium has a molecular weight of 316.18 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(E)-3-phenylprop-2-enoxy]benzenediazonium is sourced from PubChem (CID 154709949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).