6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid

Catalog Number	ACM928753939
CAS	928753-93-9
Synonyms	5-Car-Boxypentyltriphenylphosphonium Bro-Mide; 6-[Bromo(triphenyl)-lambda5-phosphanyl]hexanoic acid
IUPAC Name	6-[bromo(triphenyl)-lambda5-phosphanyl]hexanoic acid
Molecular Weight	457.34
Molecular Formula	C24H26BrO2P
InChI	RWBSUACWLXYFPL-UHFFFAOYSA-N
InChI Key	InChI=1S/C24H26BrO2P/c25-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22,23-17-9-3-10-18-23)20-12-4-11-19-24(26)27/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,26,27)
Purity	98%
Isomeric SMILES	C1=CC=C(C=C1)P(CCCCCC(=O)O)(C2=CC=CC=C2)(C3=CC=CC=C3)Br

Q&A

What is the formal charge of 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid?

The formal charge of 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid is 0.

How many hydrogen bond acceptor counts does 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid have?

It has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid?

The topological polar surface area is 37.3 for 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid.

What is the IUPAC name of 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid?

The IUPAC name is 6-[bromo(triphenyl)-λ5-phosphanyl]hexanoic acid.

What is the molecular weight of 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid?

The molecular weight is 457.3g/mol.

What is the Canonical SMILES notation for 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid?

The Canonical SMILES notation is C1=CC=C(C=C1)P(CCCCCC(=O)O)(C2=CC=CC=C2)(C3=CC=CC=C3)Br.

How many rotatable bond counts does 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid have?

It has 9 rotatable bond counts.

What is the InChI key for 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid?

The InChI key is RWBSUACWLXYFPL-UHFFFAOYSA-N.

What is the monoisotopic mass of 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid?

The monoisotopic mass is 456.08538.

How many hydrogen bond donor counts does 6-(Bromotriphenyl-l5-phosphanyl)hexanoic acid have?

It has 1 hydrogen bond donor count.