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87696-97-7 | 2H-1,6-Benzoxazocine, 3,4-dihydro-5-phenyl-
CAS No: 87696-97-7 Catalog No: AG004GLS MDL No:
Product Description
Catalog Number:
AG004GLS
Chemical Name:
2H-1,6-Benzoxazocine, 3,4-dihydro-5-phenyl-
CAS Number:
87696-97-7
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
5-phenyl-3,4-dihydro-2H-1,6-benzoxazocine
InChI:
InChI=1S/C16H15NO/c1-2-7-13(8-3-1)14-10-6-12-18-16-11-5-4-9-15(16)17-14/h1-5,7-9,11H,6,10,12H2
InChI Key:
WSFAWCZQWWYLLL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=Nc2ccccc2OCCC1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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