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88152-58-3 | 2-Azabicyclo[3.3.1]nonan-8-one, 2-benzoyl-7-bromo-
CAS No: 88152-58-3 Catalog No: AG004G0A MDL No:
Product Description
Catalog Number:
AG004G0A
Chemical Name:
2-Azabicyclo[3.3.1]nonan-8-one, 2-benzoyl-7-bromo-
CAS Number:
88152-58-3
Molecular Formula:
C15H16BrNO2
Molecular Weight:
322.1970
IUPAC Name:
2-benzoyl-7-bromo-2-azabicyclo[3.3.1]nonan-8-one
InChI:
InChI=1S/C15H16BrNO2/c16-12-8-10-6-7-17(13(9-10)14(12)18)15(19)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2
InChI Key:
STGHTIPGZMFVEA-UHFFFAOYSA-N
SMILES:
O=C1C(Br)CC2CC1N(CC2)C(=O)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.202g/mol
Monoisotopic Mass:
321.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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