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36930-65-1 | 5-iodoacetamidosalicylic acid
CAS No: 36930-65-1 Catalog No: AG00CYV4 MDL No:
Product Description
Catalog Number:
AG00CYV4
Chemical Name:
5-iodoacetamidosalicylic acid
CAS Number:
36930-65-1
IUPAC Name:
2-hydroxy-5-[(2-iodoacetyl)amino]benzoic acid
InChI:
InChI=1S/C9H8INO4/c10-4-8(13)11-5-1-2-7(12)6(3-5)9(14)15/h1-3,12H,4H2,(H,11,13)(H,14,15)
InChI Key:
MKLLOSKGYCSGFK-UHFFFAOYSA-N
NSC Number:
55321
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.07g/mol
Monoisotopic Mass:
320.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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