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886496-69-1 | 6-Iodo-7-nitro-3H-isobenzofuran-1-one
CAS No: 886496-69-1 Catalog No: AG01EYBP MDL No:
Product Description
Catalog Number:
AG01EYBP
Chemical Name:
6-Iodo-7-nitro-3H-isobenzofuran-1-one
CAS Number:
886496-69-1
Molecular Formula:
C8H4INO4
Molecular Weight:
305.0261
IUPAC Name:
6-iodo-7-nitro-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H4INO4/c9-5-2-1-4-3-14-8(11)6(4)7(5)10(12)13/h1-2H,3H2
InChI Key:
IGAHVFGBPBXRRS-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1c([N+](=O)[O-])c(cc2)I
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.919g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.027g/mol
Monoisotopic Mass:
304.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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