(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide

C25H20Br2ClP — CID 10745165

IUPAC(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide
SMILESClc1ccc(Br)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-]
InChIInChI=1S/C25H20BrClP.BrH/c26-25-17-16-21(27)18-20(25)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyZMEIFYMDQROJKT-UHFFFAOYSA-M
MW546.67 g/mol
LogP3.60
Rot. Bonds5

About (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide

(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide (PubChem CID 10745165) has the molecular formula C25H20Br2ClP and a molecular weight of 546.67 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide
PubChem CID10745165
Molecular FormulaC25H20Br2ClP
Molecular Weight546.67 g/mol
Exact Mass543.94
IUPAC Name(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide
SMILESClc1ccc(Br)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-]
InChIInChI=1S/C25H20BrClP.BrH/c26-25-17-16-21(27)18-20(25)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyZMEIFYMDQROJKT-UHFFFAOYSA-M
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-Bromobenzyl)triphenylphosphonium bromide
CID 11733967
2-Bromobenzyltriphenylphosphonium bromide
CID 12345953
(Z)-1-bromo-2-(2-bromostyryl)-4-chlorobenzene
CID 86677619
1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene
CID 89425176
2-Bromobenzyltriphenylphosphonium chloride
CID 129799309
1-[Bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene
CID 134839562
1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene
CID 134943215
2-Bromo-4-chloro-1-(1-diphenylphosphoryl-3-phenylpropa-1,2-dienyl)benzene
CID 176423789
1-Bromo-2-[3-(4-chlorophenyl)-1-diphenylphosphorylpropa-1,2-dienyl]benzene
CID 176423802
(2-Bromo-5-chlorophenyl)methyl-triphenylphosphanium
CID 10745166
Bromo-[(3-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
CID 12464997
Bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
CID 15319831

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide?
The IUPAC name of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide (CID 10745165) is (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide.
What is the SMILES notation for (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide?
The canonical SMILES for (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide is Clc1ccc(Br)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-].
What is the InChIKey of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide?
The InChIKey is ZMEIFYMDQROJKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20BrClP.BrH/c26-25-17-16-21(27)18-20(25)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1.
What are the key properties of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide?
(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide has a molecular weight of 546.67 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium bromide is sourced from PubChem (CID 10745165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).