CAS
9002-12-4 Purity
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9002-12-4 Purity
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Bis(butylcyclopentadienyl)tungsten(IV) dibromide
CAS
90023-17-9
Catalog Number
ACM90023179
Category
Other Products
Molecular Weight
426.246g/mol
Molecular Formula
C18H26W;
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Specification
Synonyms
90023-17-9;CTK5G7291;
IUPAC Name
2-butylcyclopenta-1,3-diene;tungsten(2+);
Canonical SMILES
CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[W+2];
InChI
InChI=1S/2C9H13.W/c2*1-2-3-6-9-7-4-5-8-9;/h2*4,7H,2-3,5-6H2,1H3;/q2*-1;+2;
InChI Key
SMIXNUAUMHFKPR-UHFFFAOYSA-N;
Complexity
298
Covalently-Bonded Unit Count
3
Exact Mass
426.154g/mol
H-Bond Acceptor
2
Heavy Atom Count
19
Monoisotopic Mass
426.154g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
0A^2
February 6, 2023
Highly selective catalyst
Bis(butylcyclopentadienyl)tungsten(IV) dibromide can significantly improve the yield of phenylpropionitrile and phenylbutyronitrile into amide, and has high selectivity and activity.
What is the molecular formula of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The molecular formula is C18H26W.
What is the molecular weight of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The molecular weight is 426.2 g/mol.
What are the synonyms for Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The synonyms are "Bis(butylcyclopentadienyl)tungsten(IV) dibromide".
What is the InChI of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The InChI is "InChI=1S/2C9H13.W/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;".
What is the InChIKey of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The InChIKey is "MNEYEPWIUXXLJB-UHFFFAOYSA-N".
What is the canonical SMILES of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The canonical SMILES is "CCCC[C]1[CH][CH][CH][CH]1.CCCC[C]1[CH][CH][CH][CH]1.[W]".
What is the hydrogen bond donor count of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The hydrogen bond donor count is 0.
What is the hydrogen bond acceptor count of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The hydrogen bond acceptor count is 0.
What is the rotatable bond count of Bis(butylcyclopentadienyl)tungsten(IV) dibromide?
The rotatable bond count is 6.
Is Bis(butylcyclopentadienyl)tungsten(IV) dibromide a canonicalized compound?
Yes, it is a canonicalized compound.
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