(2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene

Catalog Number	ACM163169128
CAS	163169-12-8
Structure
Molecular Weight	515.36
Molecular Formula	C31H26FeNOP
InChI	QHWSWZGJUBBRJV-UHFFFAOYSA-N
InChI Key	InChI=1S/C26H21NOP.C5H5.Fe/c1-4-11-20(12-5-1)24-19-28-26(27-24)23-17-10-18-25(23)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22;1-2-4-5-3-1;/h1-18,24H,19H2;1-5H;
Appearance	Solid
Isomeric SMILES	C1C(N=C(O1)[C]2[CH][CH][CH][C]2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe]

Q&A

What is the molecular formula of (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

The molecular formula is C31H26FeNOP.

What is the exact mass of (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

The exact mass is 515.110137 g/mol.

What are the depositor-supplied synonyms for (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

The depositor-supplied synonyms are 163169-12-8 and MFCD17019274.

How many heavy atoms are present in (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

There are 35 heavy atoms in (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene.

What is the Canonical SMILES representation of (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

The Canonical SMILES is C1C(N=C(O1)[C]2[CH][CH][CH][C]2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe]

What is the InChIKey of (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

The InChIKey is QHWSWZGJUBBRJV-UHFFFAOYSA-N.

How many covalently-bonded units are there in (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

There are 3 covalently-bonded units.

What is the topological polar surface area of (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

The topological polar surface area is 21.6.

How many rotatable bonds are present in (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene?

There are 5 rotatable bonds.