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89757-57-3 | 3-Azabicyclo[3.3.1]nonan-9-one, 3-chloro-1-methyl-2,4-diphenyl-
CAS No: 89757-57-3 Catalog No: AG0040TQ MDL No:
Product Description
Catalog Number:
AG0040TQ
Chemical Name:
3-Azabicyclo[3.3.1]nonan-9-one, 3-chloro-1-methyl-2,4-diphenyl-
CAS Number:
89757-57-3
Molecular Formula:
C21H22ClNO
Molecular Weight:
339.8585
IUPAC Name:
3-chloro-1-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C21H22ClNO/c1-21-14-8-13-17(20(21)24)18(15-9-4-2-5-10-15)23(22)19(21)16-11-6-3-7-12-16/h2-7,9-12,17-19H,8,13-14H2,1H3
InChI Key:
LRBJVBIFXHSCLS-UHFFFAOYSA-N
SMILES:
ClN1C(c2ccccc2)C2CCCC(C1c1ccccc1)(C2=O)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.863g/mol
Monoisotopic Mass:
339.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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