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Home > Nitro Compounds > 477857-69-5
477857-69-5 | 2-(4-methylphenyl)-5-(5-nitro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
CAS No: 477857-69-5 Catalog No: AG00IW9B MDL No:MFCD02083302
Product Description
Catalog Number:
AG00IW9B
Chemical Name:
2-(4-methylphenyl)-5-(5-nitro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
CAS Number:
477857-69-5
Molecular Formula:
C17H11N3O3S
Molecular Weight:
337.3525
MDL Number:
MFCD02083302
IUPAC Name:
2-(4-methylphenyl)-5-(5-nitro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C17H11N3O3S/c1-10-2-4-11(5-3-10)16-18-19-17(23-16)15-9-12-8-13(20(21)22)6-7-14(12)24-15/h2-9H,1H3
InChI Key:
COBNYAYCQGBDOI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nnc(o1)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.052g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.353g/mol
Monoisotopic Mass:
337.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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