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69227-70-9 | Benzofuran, 2,6-dinitro-
CAS No: 69227-70-9 Catalog No: AG005KIU MDL No:
Product Description
Catalog Number:
AG005KIU
Chemical Name:
Benzofuran, 2,6-dinitro-
CAS Number:
69227-70-9
Molecular Formula:
C8H4N2O5
Molecular Weight:
208.1278
IUPAC Name:
2,6-dinitro-1-benzofuran
InChI:
InChI=1S/C8H4N2O5/c11-9(12)6-2-1-5-3-8(10(13)14)15-7(5)4-6/h1-4H
InChI Key:
ISSMJEWNOOIPLK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)oc(c2)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.129g/mol
Monoisotopic Mass:
208.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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