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78685-70-8 | Benzoxazole,2-(2-phenylethenyl)-, (Z)- (9CI)
CAS No: 78685-70-8 Catalog No: AG0051WF MDL No:MFCD00443375
Product Description
Catalog Number:
AG0051WF
Chemical Name:
Benzoxazole,2-(2-phenylethenyl)-, (Z)- (9CI)
CAS Number:
78685-70-8
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD00443375
IUPAC Name:
2-[(E)-2-phenylethenyl]-1,3-benzoxazole
InChI:
InChI=1S/C15H11NO/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H/b11-10+
InChI Key:
GJFNNZBYCMUAHY-ZHACJKMWSA-N
SMILES:
c1ccc(cc1)/C=C/c1nc2c(o1)cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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