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130482-21-2 | iodoethylspiperone
CAS No: 130482-21-2 Catalog No: AG00AI9A MDL No:
Product Description
Catalog Number:
AG00AI9A
Chemical Name:
iodoethylspiperone
CAS Number:
130482-21-2
IUPAC Name:
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C25H29FIN3O2/c26-21-10-8-20(9-11-21)23(31)7-4-15-28-16-12-25(13-17-28)24(32)29(18-14-27)19-30(25)22-5-2-1-3-6-22/h1-3,5-6,8-11H,4,7,12-19H2
InChI Key:
RXMOSTORZPJKLO-UHFFFAOYSA-N
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.129g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
549.429g/mol
Monoisotopic Mass:
549.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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