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82998-57-0 | 3-Iodo-4-methylbenzoic acid
CAS No: 82998-57-0 Catalog No: AG003JLC MDL No:MFCD00010392
Product Description
Catalog Number:
AG003JLC
Chemical Name:
3-Iodo-4-methylbenzoic acid
CAS Number:
82998-57-0
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0444
MDL Number:
MFCD00010392
IUPAC Name:
3-iodo-4-methylbenzoic acid
InChI:
InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key:
LDDHMKANNXWUAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| A polar substituent-containing acylation agent for the radioiodination of internalizing monoclonal antibodies: N-succinimidyl 4-guanidinomethyl-3-[131I]iodobenzoate ([131I]SGMIB). | Bioconjugate chemistry 20010101 |
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