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76070-10-5 | iodotamoxifen
CAS No: 76070-10-5 Catalog No: AG00GF8M MDL No:
Product Description
Catalog Number:
AG00GF8M
Chemical Name:
iodotamoxifen
CAS Number:
76070-10-5
IUPAC Name:
2-[4-[(Z)-1,2-diphenylbut-1-enyl]-2-iodophenoxy]-N,N-dimethylethanamine
InChI:
InChI=1S/C26H28INO/c1-4-23(20-11-7-5-8-12-20)26(21-13-9-6-10-14-21)22-15-16-25(24(27)19-22)29-18-17-28(2)3/h5-16,19H,4,17-18H2,1-3H3/b26-23-
InChI Key:
BQCKHKPFDCASMY-RWEWTDSWSA-N
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
497.122g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.42g/mol
Monoisotopic Mass:
497.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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