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72249-70-8 | 4-iodobenzoylacebutolol
CAS No: 72249-70-8 Catalog No: AG00FT4J MDL No:
Product Description
Catalog Number:
AG00FT4J
Chemical Name:
4-iodobenzoylacebutolol
CAS Number:
72249-70-8
IUPAC Name:
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-iodobenzamide
InChI:
InChI=1S/C21H25IN2O4/c1-13(2)23-11-18(26)12-28-20-9-8-17(10-19(20)14(3)25)24-21(27)15-4-6-16(22)7-5-15/h4-10,13,18,23,26H,11-12H2,1-3H3,(H,24,27)
InChI Key:
XXWRJQCENSSDFR-UHFFFAOYSA-N
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
496.345g/mol
Monoisotopic Mass:
496.086g/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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