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156558-61-1 | 7-iodobenzovesamicol
CAS No: 156558-61-1 Catalog No: AG00B3OA MDL No:
Product Description
Catalog Number:
AG00B3OA
Chemical Name:
7-iodobenzovesamicol
CAS Number:
156558-61-1
IUPAC Name:
(2S,3R)-7-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
InChI:
InChI=1S/C21H24INO/c22-19-7-6-17-13-20(21(24)14-18(17)12-19)23-10-8-16(9-11-23)15-4-2-1-3-5-15/h1-7,12,16,20-21,24H,8-11,13-14H2/t20-,21+/m1/s1
InChI Key:
MTVLLGKCGSPPQQ-RTWAWAEBSA-N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
433.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.333g/mol
Monoisotopic Mass:
433.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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