| CAS Number | 1160574-80-0 |
| Catalog Number | AG01FCJ4(AGN-PC-3H49MJ) |
| Chemical Name | Methyl 3-bromo-5-chloro-4-iodobenzoate |
| IUPAC Name | methyl 3-bromo-5-chloro-4-iodobenzoate |
| InChI | InChI=1S/C8H5BrClIO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3 |
| InChI Key | APSNCTJNWJPDAS-UHFFFAOYSA-N |
| MDL Number | MFCD11846094 |
| Molecular Formula | C8H5BrClIO2 |
| Molecular Weight | 375.3856 |
| SMILES | BrC=1C=C(C(=O)OC)C=C(C1I)Cl |
| Synonyms | Methyl 3-Bromo-5-chloro-4-iodobenzoate,
1160574-80-0,
ZINC36532942,
AKOS017560808,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.821g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.384g/mol |
| Monoisotopic Mass | 373.821g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number