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Home > Nitro Compounds > 89266-46-6
89266-46-6 | Benzofuran, 2-(5-nitro-2-thienyl)-
CAS No: 89266-46-6 Catalog No: AG0041Y5 MDL No:
Product Description
Catalog Number:
AG0041Y5
Chemical Name:
Benzofuran, 2-(5-nitro-2-thienyl)-
CAS Number:
89266-46-6
Molecular Formula:
C12H7NO3S
Molecular Weight:
245.2539
IUPAC Name:
2-(5-nitrothiophen-2-yl)-1-benzofuran
InChI:
InChI=1S/C12H7NO3S/c14-13(15)12-6-5-11(17-12)10-7-8-3-1-2-4-9(8)16-10/h1-7H
InChI Key:
KNTPGKMUKJKTGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)c1cc2c(o1)cccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.252g/mol
Monoisotopic Mass:
245.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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