| CAS Number | 1113050-16-0 |
| Catalog Number | AG0093M1(AGN-PC-0WCLOD) |
| Chemical Name | 2,4-Difluoro-5-iodo-benzoic acid methyl ester |
| IUPAC Name | methyl 2,4-difluoro-5-iodobenzoate |
| InChI | InChI=1S/C8H5F2IO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,1H3 |
| InChI Key | RKMKPEBEUQDDMM-UHFFFAOYSA-N |
| MDL Number | MFCD24107099 |
| Molecular Formula | C8H5F2IO2 |
| Molecular Weight | 298.0254 |
| SMILES | O=C(OC)C1=CC(I)=C(F)C=C1F |
| Synonyms | 1113050-16-0,
2,4-Difluoro-5-iodo-benzoic acid methyl ester,
Methyl 2,4-difluoro-5-iodobenzoate,
SCHEMBL11922634,
MFCD24107099,
AKOS020008180,
ZINC149723730,
AS-9775,
A1-01351,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.027g/mol |
| Monoisotopic Mass | 297.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number