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55508-15-1 | 1-iodohexestrol
CAS No: 55508-15-1 Catalog No: AG00DYY6 MDL No:
Product Description
Catalog Number:
AG00DYY6
Chemical Name:
1-iodohexestrol
CAS Number:
55508-15-1
IUPAC Name:
4-[(3S,4R)-4-(4-hydroxy-3-iodophenyl)hexan-3-yl]-2-iodophenol
InChI:
InChI=1S/C18H20I2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14+
InChI Key:
JHLLTEJRPPJGGQ-OKILXGFUSA-N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
521.955g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
522.165g/mol
Monoisotopic Mass:
521.955g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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