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139437-20-0 | 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-5-phenyl-
CAS No: 139437-20-0 Catalog No: AG001B0H MDL No:
Product Description
Catalog Number:
AG001B0H
Chemical Name:
2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-5-phenyl-
CAS Number:
139437-20-0
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
5-phenyl-1,3,4,5-tetrahydro-3-benzazepin-2-one
InChI:
InChI=1S/C16H15NO/c18-16-10-13-8-4-5-9-14(13)15(11-17-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,17,18)
InChI Key:
XNRDOVIJXYNFNF-UHFFFAOYSA-N
SMILES:
O=C1NCC(c2c(C1)cccc2)c1ccccc1
Properties
Complexity:
296
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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