bromo-methyl-triphenyl-λ5-phosphane;hydrobromide

C19H19Br2P — CID 173269490

IUPACbromo-methyl-triphenyl-λ5-phosphane;hydrobromide
SMILESBr.CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18BrP.BrH/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H
InChIKeyLUQNHJQDSBWDOM-UHFFFAOYSA-N
MW438.14 g/mol
LogP5.03
Rot. Bonds3

About bromo-methyl-triphenyl-λ5-phosphane;hydrobromide

bromo-methyl-triphenyl-λ5-phosphane;hydrobromide (PubChem CID 173269490) has the molecular formula C19H19Br2P and a molecular weight of 438.14 g/mol. Its IUPAC name is bromo-methyl-triphenyl-λ5-phosphane;hydrobromide.

Molecular Properties

Compound Namebromo-methyl-triphenyl-λ5-phosphane;hydrobromide
PubChem CID173269490
Molecular FormulaC19H19Br2P
Molecular Weight438.14 g/mol
Exact Mass435.96
IUPAC Namebromo-methyl-triphenyl-λ5-phosphane;hydrobromide
SMILESBr.CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18BrP.BrH/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H
InChIKeyLUQNHJQDSBWDOM-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.14
LogP ≤ 55.03
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 bromo-methyl-triphenyl-λ5-phosphane;hydrobromide?
The IUPAC name of bromo-methyl-triphenyl-λ5-phosphane;hydrobromide (CID 173269490) is bromo-methyl-triphenyl-λ5-phosphane;hydrobromide.
What is the SMILES notation for bromo-methyl-triphenyl-λ5-phosphane;hydrobromide?
The canonical SMILES for bromo-methyl-triphenyl-λ5-phosphane;hydrobromide is Br.CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-methyl-triphenyl-λ5-phosphane;hydrobromide?
The InChIKey is LUQNHJQDSBWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrP.BrH/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H.
What are the key properties of bromo-methyl-triphenyl-λ5-phosphane;hydrobromide?
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide has a molecular weight of 438.14 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-methyl-triphenyl-λ5-phosphane;hydrobromide is sourced from PubChem (CID 173269490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).