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833452-00-9 | 1,2-Ethanediol, 1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-
CAS No: 833452-00-9 Catalog No: AG0055SQ MDL No:
Product Description
Catalog Number:
AG0055SQ
Chemical Name:
1,2-Ethanediol, 1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-
CAS Number:
833452-00-9
Molecular Formula:
C14H11F3INO2
Molecular Weight:
409.1423
IUPAC Name:
1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]ethane-1,2-diol
InChI:
InChI=1S/C14H11F3INO2/c15-9-3-2-8(12(21)6-20)14(13(9)17)19-11-4-1-7(18)5-10(11)16/h1-5,12,19-21H,6H2
InChI Key:
MNWVKYBWSXOHSV-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.979g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.147g/mol
Monoisotopic Mass:
408.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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