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112391-34-1 | Benzoic acid, 2-iodosyl-4-nitro-
CAS No: 112391-34-1 Catalog No: AG0082O8 MDL No:MFCD00955925
Product Description
Catalog Number:
AG0082O8
Chemical Name:
Benzoic acid, 2-iodosyl-4-nitro-
CAS Number:
112391-34-1
Molecular Formula:
C7H4INO5
Molecular Weight:
309.0148
MDL Number:
MFCD00955925
IUPAC Name:
2-iodosyl-4-nitrobenzoic acid
InChI:
InChI=1S/C7H4INO5/c10-7(11)5-2-1-4(9(13)14)3-6(5)8-12/h1-3H,(H,10,11)
InChI Key:
FBADTBVXQIPLPP-UHFFFAOYSA-N
SMILES:
O=[I]c1cc(ccc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.913g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.015g/mol
Monoisotopic Mass:
308.913g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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