| CAS Number | 1240113-86-3 |
| Catalog Number | AG01AC3N |
| Chemical Name | Methyl 4-amino-3-bromo-5-iodobenzoate |
| IUPAC Name | methyl 4-amino-3-bromo-5-iodobenzoate |
| InChI | InChI=1S/C8H7BrINO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3 |
| InChI Key | VQDXJUCZOAEOKV-UHFFFAOYSA-N |
| MDL Number | MFCD23378830 |
| Molecular Formula | C8H7BrINO2 |
| Molecular Weight | 355.9551 |
| SMILES | COC(C1=CC(I)=C(N)C(Br)=C1)=O |
| Synonyms | methyl 4-amino-3-bromo-5-iodobenzoate,
1240113-86-3,
SCHEMBL3709901,
AKOS033905265,
ZINC167379052,
Z2418193608,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.87g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.957g/mol |
| Monoisotopic Mass | 354.87g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number