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83367-85-5 | (5-MORPHOLIN-4-YL-2-PHENYL-OXAZOL-4-YL)TRIPHENYLPHOSPHONIUM PERCHLORATE
CAS No: 83367-85-5 Catalog No: AG00551B MDL No:
Product Description
Catalog Number:
AG00551B
Chemical Name:
(5-MORPHOLIN-4-YL-2-PHENYL-OXAZOL-4-YL)TRIPHENYLPHOSPHONIUM PERCHLORATE
CAS Number:
83367-85-5
Molecular Formula:
C31H28ClN2O6P
Molecular Weight:
590.9906
IUPAC Name:
(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C31H28N2O2P.ClHO4/c1-5-13-25(14-6-1)29-32-30(31(35-29)33-21-23-34-24-22-33)36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28;2-1(3,4)5/h1-20H,21-24H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
RBCKODSTWQGRJN-UHFFFAOYSA-M
SMILES:
O1CCN(CC1)c1oc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
590.137g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
590.997g/mol
Monoisotopic Mass:
590.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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