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

Catalog Number	ACM69550283-1
CAS	69550-28-3
Structure
Synonyms	Chlorogold;tritert-butylphosphane
IUPAC Name	chlorogold;tritert-butylphosphane;
Molecular Weight	434.73
Molecular Formula	C12H27AuClP
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
Purity	99%
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

Q&A

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.