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Home > Nitro Compounds > 83646-69-9
83646-69-9 | 1,3-Isobenzofurandione, 4,7-dinitro-
CAS No: 83646-69-9 Catalog No: AG0056VH MDL No:
Product Description
Catalog Number:
AG0056VH
Chemical Name:
1,3-Isobenzofurandione, 4,7-dinitro-
CAS Number:
83646-69-9
Molecular Formula:
C8H2N2O7
Molecular Weight:
238.1107
IUPAC Name:
4,7-dinitro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H2N2O7/c11-7-5-3(9(13)14)1-2-4(10(15)16)6(5)8(12)17-7/h1-2H
InChI Key:
GGDBHWOWDOENEX-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c(ccc2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.111g/mol
Monoisotopic Mass:
237.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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