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647026-57-1 | 1,2-Ethanediol, 1-(4-iodophenyl)-, (1S)-
CAS No: 647026-57-1 Catalog No: AG00H820 MDL No:
Product Description
Catalog Number:
AG00H820
Chemical Name:
1,2-Ethanediol, 1-(4-iodophenyl)-, (1S)-
CAS Number:
647026-57-1
Molecular Formula:
C8H9IO2
Molecular Weight:
264.0603
IUPAC Name:
(1S)-1-(4-iodophenyl)ethane-1,2-diol
InChI:
InChI=1S/C8H9IO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
InChI Key:
ZNNCSCNNQXKILF-MRVPVSSYSA-N
SMILES:
OC[C@H](c1ccc(cc1)I)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.062g/mol
Monoisotopic Mass:
263.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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