| CAS Number | 553672-24-5 |
| Catalog Number | AG01A638 |
| Chemical Name | Methyl 4-bromo-2-(difluoromethoxy)benzoate |
| IUPAC Name | methyl 4-bromo-2-(difluoromethoxy)benzoate |
| InChI | InChI=1S/C9H7BrF2O3/c1-14-8(13)6-3-2-5(10)4-7(6)15-9(11)12/h2-4,9H,1H3 |
| InChI Key | VAOQPVDNXYVDBL-UHFFFAOYSA-N |
| MDL Number | MFCD25371699 |
| Molecular Formula | C9H7BrF2O3 |
| Molecular Weight | 281.0509 |
| SMILES | BrC1=CC(=C(C(=O)OC)C=C1)OC(F)F |
| Synonyms | methyl 4-bromo-2-(difluoromethoxy)benzoate,
553672-24-5,
SCHEMBL5236111,
VAOQPVDNXYVDBL-UHFFFAOYSA-N,
ZINC95348065,
A1-08022,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.053g/mol |
| Monoisotopic Mass | 279.955g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number