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1344080-51-8 | 2-(4-iodophenoxy)-1,3,4-thiadiazole
CAS No: 1344080-51-8 Catalog No: AG01EL7Q MDL No:MFCD19664274
Product Description
Catalog Number:
AG01EL7Q
Chemical Name:
2-(4-iodophenoxy)-1,3,4-thiadiazole
CAS Number:
1344080-51-8
Molecular Formula:
C8H5IN2OS
Molecular Weight:
304.1076
MDL Number:
MFCD19664274
IUPAC Name:
2-(4-iodophenoxy)-1,3,4-thiadiazole
InChI:
InChI=1S/C8H5IN2OS/c9-6-1-3-7(4-2-6)12-8-11-10-5-13-8/h1-5H
InChI Key:
MYJAATNHHVRTBJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)Oc1scnn1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.917g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.105g/mol
Monoisotopic Mass:
303.917g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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