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Home > Nitro Compounds > 84944-77-4
84944-77-4 | 5,7-Dinitro-2,3-dihydrobenzofuran
CAS No: 84944-77-4 Catalog No: AG003MAW MDL No:MFCD09258661
Product Description
Catalog Number:
AG003MAW
Chemical Name:
5,7-Dinitro-2,3-dihydrobenzofuran
CAS Number:
84944-77-4
Molecular Formula:
C8H6N2O5
Molecular Weight:
210.1436
MDL Number:
MFCD09258661
IUPAC Name:
5,7-dinitro-2,3-dihydro-1-benzofuran
InChI:
InChI=1S/C8H6N2O5/c11-9(12)6-3-5-1-2-15-8(5)7(4-6)10(13)14/h3-4H,1-2H2
InChI Key:
NDLMVUTUPSDFML-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2CCOc2c(c1)[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:
210.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.145g/mol
Monoisotopic Mass:
210.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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