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89684-45-7 | Phenol, 4-(6-phenyl-4H-1,3,4-oxadiazin-2-yl)-
CAS No: 89684-45-7 Catalog No: AG00439S MDL No:
Product Description
Catalog Number:
AG00439S
Chemical Name:
Phenol, 4-(6-phenyl-4H-1,3,4-oxadiazin-2-yl)-
CAS Number:
89684-45-7
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
4-(6-phenyl-4H-1,3,4-oxadiazin-2-yl)phenol
InChI:
InChI=1S/C15H12N2O2/c18-13-8-6-12(7-9-13)15-17-16-10-14(19-15)11-4-2-1-3-5-11/h1-10,16,18H
InChI Key:
IEKKLOIDOAYPFH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=NNC=C(O1)c1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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