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167171-03-1 | Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-
CAS No: 167171-03-1 Catalog No: AG001X6G MDL No:
Product Description
Catalog Number:
AG001X6G
Chemical Name:
Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-
CAS Number:
167171-03-1
Molecular Formula:
C27H22NOP
Molecular Weight:
407.4434
IUPAC Name:
diphenyl-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
InChI:
InChI=1S/C27H22NOP/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,25H,20H2/t25-/m0/s1
InChI Key:
OKUTYUNUKKPYJS-VWLOTQADSA-N
SMILES:
c1ccc(cc1)[C@@H]1COC(=N1)c1ccccc1P(c1ccccc1)c1ccccc1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
407.144g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.453g/mol
Monoisotopic Mass:
407.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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