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Home > Nitro Compounds > 54608-96-7
54608-96-7 | 3-(4-Nitrophenyl);-5-(thiophen-2-yl);-1,2,4-oxadiazole
CAS No: 54608-96-7 Catalog No: AG003I5B MDL No:MFCD00274806
Product Description
Catalog Number:
AG003I5B
Chemical Name:
3-(4-Nitrophenyl);-5-(thiophen-2-yl);-1,2,4-oxadiazole
CAS Number:
54608-96-7
Molecular Formula:
C12H7N3O3S
Molecular Weight:
273.2673
MDL Number:
MFCD00274806
IUPAC Name:
3-(4-nitrophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H7N3O3S/c16-15(17)9-5-3-8(4-6-9)11-13-12(18-14-11)10-2-1-7-19-10/h1-7H
InChI Key:
RNBDDVSNTYIAEV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1noc(n1)c1cccs1
NSC Number:
372773
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.266g/mol
Monoisotopic Mass:
273.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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