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1312586-89-2 | 4-Iodo-3-sulfobenzoic acid
CAS No: 1312586-89-2 Catalog No: AG00HSEM MDL No:
Product Description
Catalog Number:
AG00HSEM
Chemical Name:
4-Iodo-3-sulfobenzoic acid
CAS Number:
1312586-89-2
IUPAC Name:
4-iodo-3-sulfobenzoic acid
InChI:
InChI=1S/C7H5IO5S/c8-5-2-1-4(7(9)10)3-6(5)14(11,12)13/h1-3H,(H,9,10)(H,11,12,13)
InChI Key:
KWJVKHVMEMSXPI-UHFFFAOYSA-N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.89g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.076g/mol
Monoisotopic Mass:
327.89g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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