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72249-69-5 | 2-iodobenzoylacebutolol
CAS No: 72249-69-5 Catalog No: AG00FT4O MDL No:
Product Description
Catalog Number:
AG00FT4O
Chemical Name:
2-iodobenzoylacebutolol
CAS Number:
72249-69-5
IUPAC Name:
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-(125I)iodanylbenzamide
InChI:
InChI=1S/C21H25IN2O4/c1-13(2)23-11-16(26)12-28-20-9-8-15(10-18(20)14(3)25)24-21(27)17-6-4-5-7-19(17)22/h4-10,13,16,23,26H,11-12H2,1-3H3,(H,24,27)/i22-2
InChI Key:
KXNPTVLZWGRHRX-ONBQKKEBSA-N
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
1
Molecular Weight:
494.346g/mol
Monoisotopic Mass:
494.086g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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