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Home > Nitro Compounds > 89266-50-2
89266-50-2 | Benzofuran, 5-methoxy-2-(5-nitro-2-thienyl)-
CAS No: 89266-50-2 Catalog No: AG0041GB MDL No:
Product Description
Catalog Number:
AG0041GB
Chemical Name:
Benzofuran, 5-methoxy-2-(5-nitro-2-thienyl)-
CAS Number:
89266-50-2
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
IUPAC Name:
5-methoxy-2-(5-nitrothiophen-2-yl)-1-benzofuran
InChI:
InChI=1S/C13H9NO4S/c1-17-9-2-3-10-8(6-9)7-11(18-10)12-4-5-13(19-12)14(15)16/h2-7H,1H3
InChI Key:
SKIQRHOZCNOFKD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(o2)c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.278g/mol
Monoisotopic Mass:
275.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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