6-carboxyhexyl triphenylphosphonium bromide

CAS

50889-30-0

Catalog Number

ACM50889300

Category

Organic Phosphine Compounds

Molecular Weight

471.375g/mol

Molecular Formula

C25H28BrO2P;

MSDS COA Spec Sheet

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Specification

Synonyms

SCHEMBL2854923; IASRMNRQZIRYHM-UHFFFAOYSA-N; (6-Carboxyhexyl) triphenylphosphonium bromide; 6-carboxyhexyl triphenylphosphonium bromide; 50889-30-0;

IUPAC Name

6-carboxyhexyl(triphenyl)phosphanium;bromide;

Canonical SMILES

C1=CC=C(C=C1)[P+](CCCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-];

InChI

InChI=1S/C25H27O2P.BrH/c26-25(27)20-12-1-2-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19H,1-2,12-13,20-21H2;1H;

InChI Key

IASRMNRQZIRYHM-UHFFFAOYSA-N;

Complexity

400

Covalently-Bonded Unit Count

Exact Mass

470.101g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

470.101g/mol

Rotatable Bond Count

Topological Polar Surface Area

37.3A^2

What is the molecular formula of 6-carboxyhexyl triphenylphosphonium bromide?

The molecular formula of 6-carboxyhexyl triphenylphosphonium bromide is C25H28BrO2P.

What is the molecular weight of 6-carboxyhexyl triphenylphosphonium bromide?

The molecular weight of 6-carboxyhexyl triphenylphosphonium bromide is 471.4 g/mol.

What is the IUPAC name of 6-carboxyhexyl triphenylphosphonium bromide?

The IUPAC name of 6-carboxyhexyl triphenylphosphonium bromide is 6-carboxyhexyl(triphenyl)phosphanium;bromide.

What is the InChI of 6-carboxyhexyl triphenylphosphonium bromide?

The InChI of 6-carboxyhexyl triphenylphosphonium bromide is InChI=1S/C25H27O2P.BrH/c26-25(27)20-12-1-2-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19H,1-2,12-13,20-21H2;1H.

What is the InChIKey of 6-carboxyhexyl triphenylphosphonium bromide?

The InChIKey of 6-carboxyhexyl triphenylphosphonium bromide is IASRMNRQZIRYHM-UHFFFAOYSA-N.

What is the canonical SMILES of 6-carboxyhexyl triphenylphosphonium bromide?

The canonical SMILES of 6-carboxyhexyl triphenylphosphonium bromide is C1=CC=C(C=C1)[P+](CCCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-].

What is the CAS number of 6-carboxyhexyl triphenylphosphonium bromide?

The CAS number of 6-carboxyhexyl triphenylphosphonium bromide is 50889-30-0.

How many hydrogen bond donor counts are there in 6-carboxyhexyl triphenylphosphonium bromide?

There is 1 hydrogen bond donor count in 6-carboxyhexyl triphenylphosphonium bromide.

How many hydrogen bond acceptor counts are there in 6-carboxyhexyl triphenylphosphonium bromide?

There are 3 hydrogen bond acceptor counts in 6-carboxyhexyl triphenylphosphonium bromide.