| CAS Number | 333780-75-9 |
| Catalog Number | AG00CJ2Q(AGN-PC-00T1DO) |
| Chemical Name | 2,3-Difluoro-6-iodobenzoic acid |
| IUPAC Name | 2,3-difluoro-6-iodobenzoic acid |
| InChI | InChI=1S/C7H3F2IO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,(H,11,12) |
| InChI Key | RBZFCUDQWRXOLM-UHFFFAOYSA-N |
| MDL Number | MFCD07368093 |
| Molecular Formula | C7H3F2IO2 |
| Molecular Weight | 283.9988 |
| SMILES | O=C(O)C1=C(I)C=CC(F)=C1F |
| Synonyms | 2,3-Difluoro-6-iodobenzoic acid,
333780-75-9,
SCHEMBL6418751,
CTK4H0512,
DTXSID30583114,
RBZFCUDQWRXOLM-UHFFFAOYSA-N,
ZINC21985403,
AKOS015961759,
AB31665,
FCH1382833,
FS-5536,
AC-14753,
ACM333780759,
AJ-79350,
AX8065554,
2,3-DIFLUORO-6-IODOBENZOICACID,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number