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856106-63-3 | 2,4-Dihydroxy-5-Iodobenzoic Acid
CAS No: 856106-63-3 Catalog No: AG01DIQJ MDL No:MFCD20257782
Product Description
Catalog Number:
AG01DIQJ
Chemical Name:
2,4-Dihydroxy-5-Iodobenzoic Acid
CAS Number:
856106-63-3
Molecular Formula:
C7H5IO4
Molecular Weight:
280.0167
MDL Number:
MFCD20257782
IUPAC Name:
2,4-dihydroxy-5-iodobenzoic acid
InChI:
InChI=1S/C7H5IO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)
InChI Key:
KIHIUNVBVKLJAL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(cc1O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.923g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.017g/mol
Monoisotopic Mass:
279.923g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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