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16143-03-6 | Benzoxazole, 5-(1,1-dimethylethyl)-2-[4-(2-phenylethenyl)phenyl]-
CAS No: 16143-03-6 Catalog No: AG001SHM MDL No:
Product Description
Catalog Number:
AG001SHM
Chemical Name:
Benzoxazole, 5-(1,1-dimethylethyl)-2-[4-(2-phenylethenyl)phenyl]-
CAS Number:
16143-03-6
Molecular Formula:
C25H23NO
Molecular Weight:
353.4562
IUPAC Name:
5-tert-butyl-2-[4-(2-phenylethenyl)phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C25H23NO/c1-25(2,3)21-15-16-23-22(17-21)26-24(27-23)20-13-11-19(12-14-20)10-9-18-7-5-4-6-8-18/h4-17H,1-3H3
InChI Key:
PTONLSWGLVVJHH-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)nc(o2)c1ccc(cc1)C=Cc1ccccc1)(C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.465g/mol
Monoisotopic Mass:
353.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.4
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