| CAS Number | 333780-74-8 |
| Catalog Number | AG00CLSD(AGN-PC-0NCC7O) |
| Chemical Name | 2,3-Difluoro-5-iodobenzoic acid |
| IUPAC Name | 2,3-difluoro-5-iodobenzoic acid |
| InChI | InChI=1S/C7H3F2IO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12) |
| InChI Key | HMKVHQOVPZBEQU-UHFFFAOYSA-N |
| MDL Number | MFCD16875978 |
| Molecular Formula | C7H3F2IO2 |
| Molecular Weight | 283.9988 |
| SMILES | OC(C1=C(F)C(F)=CC(I)=C1)=O |
| Synonyms | 2,3-difluoro-5-iodobenzoic acid,
333780-74-8,
2,3-difluoro-5-iodo-benzoic Acid,
SCHEMBL1044811,
2,3 Difluoro-5-iodobenzoic acid,
5-Iodo-2,3-difluorobenzoic acid,
HMKVHQOVPZBEQU-UHFFFAOYSA-N,
ZINC34550955,
AKOS017548559,
DA-19170,
FT-0758791,
K-7696,
CID10891367,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284g/mol |
| Monoisotopic Mass | 283.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number