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87964-46-3 | 1,2,4-Dioxazolidine, 4-butyl-3,5-diphenyl-, cis-
CAS No: 87964-46-3 Catalog No: AG004E8Q MDL No:
Product Description
Catalog Number:
AG004E8Q
Chemical Name:
1,2,4-Dioxazolidine, 4-butyl-3,5-diphenyl-, cis-
CAS Number:
87964-46-3
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
(3R,5S)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine
InChI:
InChI=1S/C18H21NO2/c1-2-3-14-19-17(15-10-6-4-7-11-15)20-21-18(19)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18+
InChI Key:
CLAYGIUSQFPTAQ-HDICACEKSA-N
SMILES:
CCCCN1[C@H](OO[C@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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