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89684-43-5 | 4H-1,3,4-Oxadiazine, 2-(4-methylphenyl)-6-phenyl-
CAS No: 89684-43-5 Catalog No: AG00439T MDL No:
Product Description
Catalog Number:
AG00439T
Chemical Name:
4H-1,3,4-Oxadiazine, 2-(4-methylphenyl)-6-phenyl-
CAS Number:
89684-43-5
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
2-(4-methylphenyl)-6-phenyl-4H-1,3,4-oxadiazine
InChI:
InChI=1S/C16H14N2O/c1-12-7-9-14(10-8-12)16-18-17-11-15(19-16)13-5-3-2-4-6-13/h2-11,17H,1H3
InChI Key:
HEVLQEQYKSGEAG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=NNC=C(O1)c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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