Heptyltriphenylphosphonium bromide

Catalog Number	ACM13423488-1
CAS	13423-48-8
Structure
Synonyms	N-Heptyltriphenylphosphonium Bromide
IUPAC Name	heptyl(triphenyl)phosphanium;bromide
Molecular Weight	441.38
Molecular Formula	C25H30BrP
InChI	WCZSOHSGMBVYFW-UHFFFAOYSA-M
InChI Key	InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
Melting Point	173-176 °C(lit.)
Purity	98%
Appearance	Solid
Isomeric SMILES	CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Q&A

What is the CAS number for Heptyltriphenylphosphonium bromide?

The CAS number for Heptyltriphenylphosphonium bromide is 13423-48-8.

How many heavy atoms are present in the molecular structure of Heptyltriphenylphosphonium bromide?

There are 27 heavy atoms present in the molecular structure of Heptyltriphenylphosphonium bromide.

What is the molecular weight of Heptyltriphenylphosphonium bromide?

The molecular weight of Heptyltriphenylphosphonium bromide is 441.4g/mol.

How many rotatable bonds are there in the molecular structure of Heptyltriphenylphosphonium bromide?

There are 9 rotatable bonds in the molecular structure of Heptyltriphenylphosphonium bromide.

What is the InChIKey for Heptyltriphenylphosphonium bromide?

The InChIKey for Heptyltriphenylphosphonium bromide is WCZSOHSGMBVYFW-UHFFFAOYSA-M.

What is the Monoisotopic Mass of Heptyltriphenylphosphonium bromide?

The Monoisotopic Mass of Heptyltriphenylphosphonium bromide is 440.12685.

How many covalently-bonded units are there in the molecular structure of Heptyltriphenylphosphonium bromide?

There are 2 covalently-bonded units in the molecular structure of Heptyltriphenylphosphonium bromide.

What is the Canonical SMILES representation of Heptyltriphenylphosphonium bromide?

The Canonical SMILES representation of Heptyltriphenylphosphonium bromide is CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

What is the complex properties value of Heptyltriphenylphosphonium bromide?

The complexity value of Heptyltriphenylphosphonium bromide is 313.

What are some other synonyms for Heptyltriphenylphosphonium bromide?

Some other synonyms for Heptyltriphenylphosphonium bromide are (1-Heptyl)triphenylphosphonium bromide, n-Heptyltriphenylphosphonium bromide, heptyl(triphenyl)phosphanium bromide, and many more.