| CAS Number | 334792-76-6 |
| Catalog Number | AG00CLY0(AGN-PC-01MERY) |
| Chemical Name | 3-BROMO-2-FLUOROBENZOIC ACID ETHYL ESTER |
| IUPAC Name | ethyl 3-bromo-2-fluorobenzoate |
| InChI | InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3 |
| InChI Key | GQNWAVFXHZEZKP-UHFFFAOYSA-N |
| MDL Number | MFCD10566819 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | O=C(OCC)C1=CC=CC(Br)=C1F |
| Synonyms | Ethyl 3-bromo-2-fluorobenzoate,
334792-76-6,
3-Bromo-2-fluorobenzoic acid ethyl ester,
SCHEMBL669621,
CTK8B8319,
DTXSID50591175,
GQNWAVFXHZEZKP-UHFFFAOYSA-N,
ANW-60131,
ZINC28278510,
AS03597,
AJ-83423,
3-Bromo-2-fluorobenzoic acid ethyl acetate,
TC-148876,
FT-0735997,
TL80090307,
Benzoic acid, 3-bromo-2-fluoro-, ethyl ester,
Ethyl3-bromo-2-fluorobenzoate,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number