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3788-66-7 | 2-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]-5-methylbenzoxazole
CAS No: 3788-66-7 Catalog No: AG00CPLA MDL No:
Product Description
Catalog Number:
AG00CPLA
Chemical Name:
2-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]-5-methylbenzoxazole
CAS Number:
3788-66-7
IUPAC Name:
2-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]-5-methyl-1,3-benzoxazole
InChI:
InChI=1S/C23H16N2O2/c1-15-6-12-21-19(14-15)24-22(26-21)13-9-16-7-10-17(11-8-16)23-25-18-4-2-3-5-20(18)27-23/h2-14H,1H3/b13-9+
InChI Key:
KKDLKBVEHOJWKX-UKTHLTGXSA-N
EC Number:
223-258-8
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
352.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.393g/mol
Monoisotopic Mass:
352.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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