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Home > Nitro Compounds > 263161-16-6
263161-16-6 | 5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(5-nitro-2-furyl)-1,2,4-oxadiazole
CAS No: 263161-16-6 Catalog No: AG01DAM4 MDL No:MFCD00107323
Product Description
Catalog Number:
AG01DAM4
Chemical Name:
5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(5-nitro-2-furyl)-1,2,4-oxadiazole
CAS Number:
263161-16-6
Molecular Formula:
C16H10N4O4S
Molecular Weight:
354.3400
MDL Number:
MFCD00107323
IUPAC Name:
5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole
InChI:
InChI=1S/C16H10N4O4S/c1-9-13(25-16(17-9)10-5-3-2-4-6-10)15-18-14(19-24-15)11-7-8-12(23-11)20(21)22/h2-8H,1H3
InChI Key:
XJRMRPRKJMVWEI-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1c1onc(n1)c1ccc(o1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.042g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.34g/mol
Monoisotopic Mass:
354.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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