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1533-45-5 | 1,2-Bis(4-(benzo[d]oxazol-2-yl)phenyl)ethene
CAS No: 1533-45-5 Catalog No: AG003B2U MDL No:MFCD00022846
Product Description
Catalog Number:
AG003B2U
Chemical Name:
1,2-Bis(4-(benzo[d]oxazol-2-yl)phenyl)ethene
CAS Number:
1533-45-5
Molecular Formula:
C28H18N2O2
Molecular Weight:
414.4547
MDL Number:
MFCD00022846
IUPAC Name:
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+
InChI Key:
ORACIQIJMCYPHQ-MDZDMXLPSA-N
SMILES:
c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2
EC Number:
216-245-3
UNII:
128BY3ERD5
NSC Number:
252132
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
414.137g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.464g/mol
Monoisotopic Mass:
414.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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