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Home > Nitro Compounds > 477847-62-4
477847-62-4 | 2-(5-nitro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CAS No: 477847-62-4 Catalog No: AG00IN6V MDL No:MFCD02571084
Product Description
Catalog Number:
AG00IN6V
Chemical Name:
2-(5-nitro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CAS Number:
477847-62-4
Molecular Formula:
C14H7N3O3S2
Molecular Weight:
329.3537
MDL Number:
MFCD02571084
IUPAC Name:
2-(5-nitro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C14H7N3O3S2/c18-17(19)9-3-4-10-8(6-9)7-12(22-10)14-16-15-13(20-14)11-2-1-5-21-11/h1-7H
InChI Key:
YMWUDZIGXXUDBL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc(s2)c1nnc(o1)c1cccs1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.993g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.348g/mol
Monoisotopic Mass:
328.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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