| CAS Number | 1007455-28-8 |
| Catalog Number | AG0002RJ(AGN-PC-0WD40L) |
| Chemical Name | Benzoic acid, 6-bromo-2-fluoro-3-methoxy-, methyl ester |
| IUPAC Name | methyl 6-bromo-2-fluoro-3-methoxybenzoate |
| InChI | InChI=1S/C9H8BrFO3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,1-2H3 |
| InChI Key | TWOBQNWSLXGOBW-UHFFFAOYSA-N |
| MDL Number | MFCD20482377 |
| Molecular Formula | C9H8BrFO3 |
| Molecular Weight | 263.0604 |
| SMILES | c1(c(ccc(c1C(=O)OC)Br)OC)F |
| Synonyms | METHYL 6-BROMO-2-FLUORO-3-METHOXYBENZOATE,
1007455-28-8,
SCHEMBL1495241,
DTXSID70736324,
TWOBQNWSLXGOBW-UHFFFAOYSA-N,
MFCD20482377,
ZINC75898867,
AKOS022185945,
FCH1605337,
AS-41915,
DA-48409,
AJ-122084,
AX8282639,
FT-0705486,
X-2557,
6-Bromo-2-fluoro-3-methoxybenzoic acid methyl ester,
Benzoic acid, 6-bromo-2-fluoro-3-methoxy-, methyl ester,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.062g/mol |
| Monoisotopic Mass | 261.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number