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845266-25-3 | Benzonitrile,4-(2,1,3-benzoxadiazol-5-ylmethoxy)-
CAS No: 845266-25-3 Catalog No: AG004RY4 MDL No:MFCD00209256
Product Description
Catalog Number:
AG004RY4
Chemical Name:
Benzonitrile,4-(2,1,3-benzoxadiazol-5-ylmethoxy)-
CAS Number:
845266-25-3
Molecular Formula:
C14H9N3O2
Molecular Weight:
251.2402
MDL Number:
MFCD00209256
IUPAC Name:
4-(2,1,3-benzoxadiazol-5-ylmethoxy)benzonitrile
InChI:
InChI=1S/C14H9N3O2/c15-8-10-1-4-12(5-2-10)18-9-11-3-6-13-14(7-11)17-19-16-13/h1-7H,9H2
InChI Key:
JKBOZGOAPGJOBS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCc1ccc2c(c1)non2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.245g/mol
Monoisotopic Mass:
251.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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