C1=CC(=C(C=C1C(=O)O)O)I
CAS: 58123-77-6
Nom: 3-hydroxy-4-iodobenzoic acid
SMILES: C1=CC(=C(C=C1C(=O)O)O)I

Molecular Processing

Molecular formula
C7H5IO3
Molecular weight
264.02
Exact mass
263.9283
XLogP
1.7
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.78

Supplementary Information

InChIKey: UABBBWVTEWIIMN-UHFFFAOYSA-N
Synonymes
3-Hydroxy-4-iodobenzoic acid58123-77-6DTXSID60353120RefChem:94156DTXCID70304183625-327-1MFCD020683863-Hydroxy-4-iodo-benzoic acid3-Hydroxy-4-iodobenzoicacidBenzoic acid, 3-hydroxy-4-iodo-AE-641/001280434-Iodo-3-hydroxybenzoic acidSCHEMBL3511394-Iodo-3-hydroxy-benzoic acidSCHEMBL30574437UABBBWVTEWIIMN-UHFFFAOYSA-NSBB0641633-Hydroxy-4-iodobenzoic acid, 97%AKOS0079308324-IODO-3-HYDROXY BENZOIC ACIDAB10648AC-5637CS-W008049GS-0934SY041688DB-012089H1496EN300-116482F078581Z1269202149
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→