| CAS Number | 773139-36-9 |
| Catalog Number | AG00ICU0(AGN-PC-0WCYBU) |
| Chemical Name | 4-Bromo-2,6-Difluoro-Benzoic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-bromo-2,6-difluorobenzoate |
| InChI | InChI=1S/C9H7BrF2O2/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4H,2H2,1H3 |
| InChI Key | ZUTPJDAGBHUIFZ-UHFFFAOYSA-N |
| MDL Number | MFCD06205106 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | C1(C(OCC)=O)C(F)=CC(Br)=CC=1F |
| Synonyms | ethyl 4-bromo-2,6-difluorobenzoate,
773139-36-9,
4-Bromo-2,6-difluoro-benzoic acid ethyl ester,
KS-00001AG5,
MFCD06205106,
ZINC44201006,
AKOS017560401,
CS-0037370,
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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 | 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 |
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Certificate of Analysis
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