(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran


Chemical Name: (S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
CAS Number: 915095-94-2
Product Number: AG00IGQL(AGN-PC-0WAI1N)
Synonyms:
MDL No:
Molecular Formula: C17H16ClIO2
Molecular Weight: 414.6652

Identification/Properties


Computed Properties
Molecular Weight:
414.667g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
413.988g/mol
Monoisotopic Mass:
413.988g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
320
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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