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78845-85-9 | 7-PHENYL-3,4-DIHYDRO-2H-1,5,6-BENZODIOXAZONINE
CAS No: 78845-85-9 Catalog No: AG005P42 MDL No:
Product Description
Catalog Number:
AG005P42
Chemical Name:
7-PHENYL-3,4-DIHYDRO-2H-1,5,6-BENZODIOXAZONINE
CAS Number:
78845-85-9
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
7-phenyl-3,4-dihydro-2H-1,5,6-benzodioxazonine
InChI:
InChI=1S/C16H15NO2/c1-2-7-13(8-3-1)16-14-9-4-5-10-15(14)18-11-6-12-19-17-16/h1-5,7-10H,6,11-12H2
InChI Key:
YZAIAVVKBFPSGW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NOCCCOc2c1cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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