| CAS Number | 882679-89-2 |
| Catalog Number | AG00IF13(AGN-PC-0WQVNT) |
| Chemical Name | 2-Fluoro-3-iodo-4-methylbenzoic acid |
| IUPAC Name | 2-fluoro-3-iodo-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6FIO2/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3H,1H3,(H,11,12) |
| InChI Key | PAAKRIQUPXJQIW-UHFFFAOYSA-N |
| MDL Number | MFCD20485146 |
| Molecular Formula | C8H6FIO2 |
| Molecular Weight | 280.0349 |
| SMILES | FC1=C(C(=O)O)C=CC(=C1I)C |
| Synonyms | 2-fluoro-3-iodo-4-methylbenzoic acid,
882679-89-2,
SCHEMBL1816740,
PAAKRIQUPXJQIW-UHFFFAOYSA-N,
MFCD20485146,
AKOS027255875,
ZINC117201374,
2-fluoro-3-Iodo-4-methyl-benzoic acid,
2-Fluoro-3-Iodo-4-Methyl benzoic acid,
AS-36717,
Benzoic acid, 2-fluoro-3-iodo-4-methyl-,
CS-0046931,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.037g/mol |
| Monoisotopic Mass | 279.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number