| CAS Number | 1403483-78-2 |
| Catalog Number | AG009X7S(AGN-PC-0WADR0) |
| Chemical Name | Methyl 2-amino-3,5-dibromo-4-fluorobenzoate |
| IUPAC Name | methyl 2-amino-3,5-dibromo-4-fluorobenzoate |
| InChI | InChI=1S/C8H6Br2FNO2/c1-14-8(13)3-2-4(9)6(11)5(10)7(3)12/h2H,12H2,1H3 |
| InChI Key | QLGCANMOKCVNDA-UHFFFAOYSA-N |
| MDL Number | MFCD22549335 |
| Molecular Formula | C8H6Br2FNO2 |
| Molecular Weight | 326.9451 |
| SMILES | COC(=O)c1cc(Br)c(c(c1N)Br)F |
| Synonyms | METHYL 2-AMINO-3,5-DIBROMO-4-FLUOROBENZOATE,
1403483-78-2,
C8H6Br2FNO2,
KM4048,
ZINC95218056,
AKOS026673283,
V3074,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.873g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.947g/mol |
| Monoisotopic Mass | 324.875g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number