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111396-49-7 | 4-(5-PHENYLOXAZOL-2-YL)BENZONITRILE
CAS No: 111396-49-7 Catalog No: AG01DLEY MDL No:
Product Description
Catalog Number:
AG01DLEY
Chemical Name:
4-(5-PHENYLOXAZOL-2-YL)BENZONITRILE
CAS Number:
111396-49-7
IUPAC Name:
4-(5-phenyl-1,3-oxazol-2-yl)benzonitrile
InChI:
InChI=1S/C16H10N2O/c17-10-12-6-8-14(9-7-12)16-18-11-15(19-16)13-4-2-1-3-5-13/h1-9,11H
InChI Key:
HFIBRMHRYDDOPI-UHFFFAOYSA-N
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.269g/mol
Monoisotopic Mass:
246.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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