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16143-15-0 | Benzoxazole, 2-[4-(2-[1,1'-biphenyl]-4-ylethenyl)phenyl]-
CAS No: 16143-15-0 Catalog No: AG001SHL MDL No:
Product Description
Catalog Number:
AG001SHL
Chemical Name:
Benzoxazole, 2-[4-(2-[1,1'-biphenyl]-4-ylethenyl)phenyl]-
CAS Number:
16143-15-0
Molecular Formula:
C27H19NO
Molecular Weight:
373.4459
IUPAC Name:
2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C27H19NO/c1-2-6-22(7-3-1)23-16-12-20(13-17-23)10-11-21-14-18-24(19-15-21)27-28-25-8-4-5-9-26(25)29-27/h1-19H
InChI Key:
WTYIOUUBRHRFOP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2
EC Number:
240-296-0
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.147g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.455g/mol
Monoisotopic Mass:
373.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.3
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