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Home > Nitro Compounds > 332883-11-1
332883-11-1 | 2-{5-[5-(2-Nitro-phenyl)-[1,3,4]oxadiazol-2-ylmethylsulfanyl]-[1,3,4]oxadiazol-2-yl}-phenol
CAS No: 332883-11-1 Catalog No: AG01EVBJ MDL No:
Product Description
Catalog Number:
AG01EVBJ
Chemical Name:
2-{5-[5-(2-Nitro-phenyl)-[1,3,4]oxadiazol-2-ylmethylsulfanyl]-[1,3,4]oxadiazol-2-yl}-phenol
CAS Number:
332883-11-1
Molecular Formula:
C17H11N5O5S
Molecular Weight:
397.3647
IUPAC Name:
2-[5-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
InChI:
InChI=1S/C17H11N5O5S/c23-13-8-4-2-6-11(13)16-20-21-17(27-16)28-9-14-18-19-15(26-14)10-5-1-3-7-12(10)22(24)25/h1-8,23H,9H2
InChI Key:
VYGUJAYAWPIQTM-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nnc(o1)SCc1nnc(o1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.048g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.365g/mol
Monoisotopic Mass:
397.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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