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917988-91-1 | Oxazole, 2-(1,1-dimethylethyl)-4,5-diphenyl-
CAS No: 917988-91-1 Catalog No: AG006LQK MDL No:
Product Description
Catalog Number:
AG006LQK
Chemical Name:
Oxazole, 2-(1,1-dimethylethyl)-4,5-diphenyl-
CAS Number:
917988-91-1
Molecular Formula:
C19H19NO
Molecular Weight:
277.3603
IUPAC Name:
2-tert-butyl-4,5-diphenyl-1,3-oxazole
InChI:
InChI=1S/C19H19NO/c1-19(2,3)18-20-16(14-10-6-4-7-11-14)17(21-18)15-12-8-5-9-13-15/h4-13H,1-3H3
InChI Key:
JXAWDUBCOMYVAK-UHFFFAOYSA-N
SMILES:
CC(c1nc(c(o1)c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.367g/mol
Monoisotopic Mass:
277.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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