| CAS Number | 1936253-89-2 |
| Catalog Number | AG019EV0 |
| Chemical Name | Benzoic acid,3-bromo-2-fluoro-6-iodo-,methyl ester |
| IUPAC Name | methyl 3-bromo-2-fluoro-6-iodobenzoate |
| InChI | InChI=1S/C8H5BrFIO2/c1-13-8(12)6-5(11)3-2-4(9)7(6)10/h2-3H,1H3 |
| InChI Key | FYRSGGGTNFARPF-UHFFFAOYSA-N |
| MDL Number | MFCD29040851 |
| Molecular Formula | C8H5BrFIO2 |
| Molecular Weight | 358.9310 |
| SMILES | C(=O)(OC)c1c(F)c(Br)ccc1I |
| Synonyms | 1936253-89-2,
Methyl 3-bromo-2-fluoro-6-iodobenzoate,
Benzoic acid, 3-bromo-2-fluoro-6-iodo-, methyl ester,
SCHEMBL19792299,
AKOS034077467,
ZINC307203979,
CS-0059760,
Benzoic acid,3-bromo-2-fluoro-6-iodo-,methyl ester,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.85g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.933g/mol |
| Monoisotopic Mass | 357.85g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number