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839-55-4 | 1(3H)-Isobenzofuranone,4-iodo-5,6-dimethoxy-7-nitro-
CAS No: 839-55-4 Catalog No: AG004UNM MDL No:
Product Description
Catalog Number:
AG004UNM
Chemical Name:
1(3H)-Isobenzofuranone,4-iodo-5,6-dimethoxy-7-nitro-
CAS Number:
839-55-4
Molecular Formula:
C10H8INO6
Molecular Weight:
365.0781
IUPAC Name:
4-iodo-5,6-dimethoxy-7-nitro-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H8INO6/c1-16-8-6(11)4-3-18-10(13)5(4)7(12(14)15)9(8)17-2/h3H2,1-2H3
InChI Key:
XZFSDTYNGYJTMU-UHFFFAOYSA-N
SMILES:
COc1c([N+](=O)[O-])c2C(=O)OCc2c(c1OC)I
NSC Number:
72950
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.94g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.079g/mol
Monoisotopic Mass:
364.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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