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85562-22-7 | 4-iodospiperone
CAS No: 85562-22-7 Catalog No: AG00GF8K MDL No:
Product Description
Catalog Number:
AG00GF8K
Chemical Name:
4-iodospiperone
CAS Number:
85562-22-7
IUPAC Name:
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(4-iodophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C23H25FIN3O2/c24-18-5-3-17(4-6-18)21(29)2-1-13-27-14-11-23(12-15-27)22(30)26-16-28(23)20-9-7-19(25)8-10-20/h3-10H,1-2,11-16H2,(H,26,30)
InChI Key:
NKQFLOMSNYAUKW-UHFFFAOYSA-N
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.098g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
521.375g/mol
Monoisotopic Mass:
521.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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