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5242-49-9 | Benzoxazole,2-[4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]phenyl]-5-methyl-
CAS No: 5242-49-9 Catalog No: AG00I9DP MDL No:MFCD00328411
Product Description
Catalog Number:
AG00I9DP
Chemical Name:
Benzoxazole,2-[4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]phenyl]-5-methyl-
CAS Number:
5242-49-9
Molecular Formula:
C29H20N2O2
Molecular Weight:
428.4813
MDL Number:
MFCD00328411
IUPAC Name:
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-5-methyl-1,3-benzoxazole
InChI:
InChI=1S/C29H20N2O2/c1-19-6-17-27-25(18-19)31-29(33-27)23-15-11-21(12-16-23)8-7-20-9-13-22(14-10-20)28-30-24-4-2-3-5-26(24)32-28/h2-18H,1H3/b8-7+
InChI Key:
SOTPOQQKAUOHRO-BQYQJAHWSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2
EC Number:
226-044-2
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
428.152g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.491g/mol
Monoisotopic Mass:
428.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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