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142997-58-8

142997-58-8 | 4-iodotomoxetine

CAS No: 142997-58-8 Catalog No: AG00AI9Z MDL No:

Product Description

Catalog Number:
AG00AI9Z
Chemical Name:
4-iodotomoxetine
CAS Number:
142997-58-8
IUPAC Name:
(3R)-3-(4-(125I)iodanyl-2-methylphenoxy)-N-methyl-3-phenylpropan-1-amine
InChI:
InChI=1S/C17H20INO/c1-13-12-15(18)8-9-16(13)20-17(10-11-19-2)14-6-4-3-5-7-14/h3-9,12,17,19H,10-11H2,1-2H3/t17-/m1/s1/i18-2
InChI Key:
QECBYSWGSWJZPS-BLGMQBIPSA-N

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
379.059g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
1  
Molecular Weight:
379.258g/mol
Monoisotopic Mass:
379.059g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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