(2-bromophenyl)methyl-triphenylphosphanium bromide

C25H21Br2P — CID 11733967

IUPAC(2-bromophenyl)methyl-triphenylphosphanium bromide
SMILESBrc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C25H21BrP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyMIUPTFWVTVISEG-UHFFFAOYSA-M
MW512.23 g/mol
LogP2.95
Rot. Bonds5

About (2-bromophenyl)methyl-triphenylphosphanium bromide

(2-bromophenyl)methyl-triphenylphosphanium bromide (PubChem CID 11733967) has the molecular formula C25H21Br2P and a molecular weight of 512.23 g/mol. Its IUPAC name is (2-bromophenyl)methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name(2-bromophenyl)methyl-triphenylphosphanium bromide
PubChem CID11733967
Molecular FormulaC25H21Br2P
Molecular Weight512.23 g/mol
Exact Mass509.97
IUPAC Name(2-bromophenyl)methyl-triphenylphosphanium bromide
SMILESBrc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C25H21BrP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyMIUPTFWVTVISEG-UHFFFAOYSA-M
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl-triphenylphosphanium bromide?
The IUPAC name of (2-bromophenyl)methyl-triphenylphosphanium bromide (CID 11733967) is (2-bromophenyl)methyl-triphenylphosphanium bromide.
What is the SMILES notation for (2-bromophenyl)methyl-triphenylphosphanium bromide?
The canonical SMILES for (2-bromophenyl)methyl-triphenylphosphanium bromide is Brc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (2-bromophenyl)methyl-triphenylphosphanium bromide?
The InChIKey is MIUPTFWVTVISEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21BrP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1.
What are the key properties of (2-bromophenyl)methyl-triphenylphosphanium bromide?
(2-bromophenyl)methyl-triphenylphosphanium bromide has a molecular weight of 512.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl-triphenylphosphanium bromide is sourced from PubChem (CID 11733967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).