C1=CC=C(C(=C1)C(=O)O)I(=O)=O
CAS: 64297-64-9
Name: 2-iodylbenzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)I(=O)=O

Molecular Processing

Molecular formula
C7H5IO4
Molecular weight
280.02
Exact mass
279.9233
XLogP
1.75
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.49

Supplementary Information

InChIKey: FIYYMXYOBLWYQO-UHFFFAOYSA-N
Synonyme
2-Iodoxybenzoic acid64297-64-9DTXSID20214521RefChem:1063530DTXCID501370122-Iodylbenzoic acidBenzoic acid, 2-iodyl-ortho-iodylbenzoic acid2-iodoxy benzoic acido-iodylbenzoic acidiodoxybenzoic acid2-IodoxybenzoicacidEINECS 264-773-8o-iodoxy benzoic acido-iodoxy-benzoic acidorthoiodoxybenzoic acidUNII-3K0C43POH0SCHEMBL23476SCHEMBL29517020CHEBI:52700AKOS005146412AB12727FI12584DB-030861DB-031287NS000356662-Iodylbenzoic acid (45% w/w with stablizer)F567161Q27123563InChI=1/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10
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