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124654-22-4 | N-(iodoallyl)spiperone
CAS No: 124654-22-4 Catalog No: AG00A6PQ MDL No:
Product Description
Catalog Number:
AG00A6PQ
Chemical Name:
N-(iodoallyl)spiperone
CAS Number:
124654-22-4
IUPAC Name:
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-[(E)-3-iodoprop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C26H29FIN3O2/c27-22-11-9-21(10-12-22)24(32)8-4-16-29-18-13-26(14-19-29)25(33)30(17-5-15-28)20-31(26)23-6-2-1-3-7-23/h1-3,5-7,9-12,15H,4,8,13-14,16-20H2/b15-5+
InChI Key:
ATXGTUVMXAHMLW-PJQLUOCWSA-N
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
561.129g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
561.44g/mol
Monoisotopic Mass:
561.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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