| CAS Number | 1805523-44-7 |
| Catalog Number | AG00ATGE(AGN-PC-0WCP3X) |
| Chemical Name | Methyl 2-bromo-3,6-difluorobenzoate |
| IUPAC Name | methyl 2-bromo-3,6-difluorobenzoate |
| InChI | InChI=1S/C8H5BrF2O2/c1-13-8(12)6-4(10)2-3-5(11)7(6)9/h2-3H,1H3 |
| InChI Key | KIEJIRZTQOYEMQ-UHFFFAOYSA-N |
| MDL Number | MFCD28061358 |
| Molecular Formula | C8H5BrF2O2 |
| Molecular Weight | 251.0249 |
| SMILES | C(=O)(OC)c1c(Br)c(F)ccc1F |
| Synonyms | Methyl 2-bromo-3,6-difluorobenzoate,
1805523-44-7,
MFCD28061358,
ZINC238326726,
CS-W000611,
KS-00000M26,
AK472271,
DS-18857,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.027g/mol |
| Monoisotopic Mass | 249.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number