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Structure

Chloro(tri-tert-butylphosphine)gold(I)

CAS
69550-28-3
Catalog Number
ACM69550283-1
Category
Gold series of catalysts
Molecular Weight
434.73
Molecular Formula
C12H27AuClP

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Specification

Synonyms
Chlorogold;tritert-butylphosphane
IUPAC Name
chlorogold;tritert-butylphosphane;
Canonical SMILES
CC(C)(C)P(C(C)(C)C)C(C)(C)C.Cl[Au]
InChI
InChI=1S/C12H27P.Au.ClH/c1-10(2,3)13(11(4,5)6)12(7,8)9;/h1-9H3;1H/q;+1;/p-1
InChI Key
JLXSZGSXDDQSJF-UHFFFAOYSA-M
Melting Point
>300 °C
Application
Catalyst used for cycloisomerization reactions of 2-(2-propynyl)pyridine N-oxides.

Catalyst used for the cycloisomerization of 1,6-diynes.

Catalyst used for cycloisomerizations terminated by sp3 C-H bond insertion

Synthesis of aromatic ketones by a transition metal-catalyzed tandem sequence.
Complexity
130
Covalently-Bonded Unit Count
2
Exact Mass
434.120461
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Monoisotopic Mass
434.120461
Rotatable Bond Count
3
Topological Polar Surface Area
0 Ų
What is the IUPAC name of the compound with PubChem CID 11958185?

The IUPAC name is chlorogold;tritert-butylphosphane.

What is the molecular formula of the compound?

The molecular formula is C12H27AuClP.

What is the molecular weight of the compound?

The molecular weight is 434.73 g/mol.

What are the synonyms for the compound?

The synonyms are 69550-28-3 Chloro(tri-tert-butylphosphine)gold(I) and CHLOROTRI-T-BUTYLPHOSPHINEGOLD(I).

What is the CAS number for the compound?

The CAS number is 69550-28-3.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 0 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 0Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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