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201415-38-5 | Benzoxazole, 5-phenyl-
CAS No: 201415-38-5 Catalog No: AG002DDJ MDL No:MFCD00196162
Product Description
Catalog Number:
AG002DDJ
Chemical Name:
Benzoxazole, 5-phenyl-
CAS Number:
201415-38-5
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
MDL Number:
MFCD00196162
IUPAC Name:
5-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C13H9NO/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)14-9-15-13/h1-9H
InChI Key:
NIFNXGHHDAXUGO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc2c(c1)nco2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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