| CAS Number | 1187386-10-2 |
| Catalog Number | AG0090FL(AGN-PC-0WNO0G) |
| Chemical Name | Ethyl 5-bromo-2,3-difluorobenzoate |
| IUPAC Name | ethyl 5-bromo-2,3-difluorobenzoate |
| InChI | InChI=1S/C9H7BrF2O2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2H2,1H3 |
| InChI Key | WGGFCFSFNZQGLL-UHFFFAOYSA-N |
| MDL Number | MFCD12756425 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | CCOC(=O)c1cc(Br)cc(c1F)F |
| Synonyms | ETHYL 5-BROMO-2,3-DIFLUOROBENZOATE,
1187386-10-2,
ACMC-2099zc,
CTK4B0856,
DTXSID60675233,
ANW-17206,
MFCD12756425,
ZINC38537793,
AKOS015834360,
AJ-96232,
CJ-19501,
TR-034277,
Z7989,
A-5296,
I01-10896,
C9H7BrF2O2,
Ethyl5-bromo-2,3-difluorobenzoate,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.054g/mol |
| Monoisotopic Mass | 263.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number