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4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene

Catalog Number ACM776315378
CAS 776315-37-8
Synonyms HiersoPHOS-4
Molecular Weight 726.63
Molecular Formula C44H49FeP3
Purity 98%
Appearance Solid
Q&A

What is the molecular formula of 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

The molecular formula is C44H49FeP3.

What is the exact mass of 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

The exact mass is 726.239648 g/mol.

How many hydrogen bond acceptor counts does 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene have?

It has 0 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

The topological polar surface area is 0.

What is the canonical SMILES representation of 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

CC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.CC(C)(C)[C]1[CH][C]([C]([CH]1)P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.[Fe]

What is the Computed Properties Rotatable Bond Count of 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

The Rotatable Bond Count is 10.

What is the unique identifier name given to 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

The unique identifier name is MFCD09971737.

What is the InChIKey representation of 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

The InChIKey is BAOYDHUOTZVTBM-UHFFFAOYSA-N.

How many heavy atoms are present in the structure of 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

There are 48 heavy atoms.

What is the depositor-supplied synonym for 4-(t-Butyl)-1,2-bis(diphenylphosphino)-1'-(di-i-propylphosphino)ferrocene?

The synonym is HiersoPHOS-4.

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