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112391-35-2 | 2-Iodyl-4-nitrobenzoic acid
CAS No: 112391-35-2 Catalog No: AG01FFCS MDL No:MFCD00955924
Product Description
Catalog Number:
AG01FFCS
Chemical Name:
2-Iodyl-4-nitrobenzoic acid
CAS Number:
112391-35-2
Molecular Formula:
C7H4INO6
Molecular Weight:
325.0142
MDL Number:
MFCD00955924
IUPAC Name:
2-iodyl-4-nitrobenzoic acid
InChI:
InChI=1S/C7H4INO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)
InChI Key:
KATVHXILWHQJRA-UHFFFAOYSA-N
SMILES:
O=[I](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.908g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.014g/mol
Monoisotopic Mass:
324.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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