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1152313-76-2 | Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-dimethyl-4-(1-methylethyl)-, (4S)-
CAS No: 1152313-76-2 Catalog No: AG000GHM MDL No:
Product Description
Catalog Number:
AG000GHM
Chemical Name:
Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-dimethyl-4-(1-methylethyl)-, (4S)-
CAS Number:
1152313-76-2
Molecular Formula:
C26H28NOP
Molecular Weight:
401.4804
IUPAC Name:
[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
InChI:
InChI=1S/C26H28NOP/c1-19(2)24-26(3,4)28-25(27-24)22-17-11-12-18-23(22)29(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-19,24H,1-4H3/t24-/m0/s1
InChI Key:
JGUZEKBWCGNHHN-DEOSSOPVSA-N
SMILES:
CC([C@@H]1N=C(OC1(C)C)c1ccccc1P(c1ccccc1)c1ccccc1)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
401.191g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.49g/mol
Monoisotopic Mass:
401.191g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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