| CAS Number | 1114523-56-6 |
| Catalog Number | AG008Z30(AGN-PC-050JX0) |
| Chemical Name | 1-(2-Bromo-5-fluoropyridin-4-YL)ethanone |
| IUPAC Name | 1-(2-bromo-5-fluoropyridin-4-yl)ethanone |
| InChI | InChI=1S/C7H5BrFNO/c1-4(11)5-2-7(8)10-3-6(5)9/h2-3H,1H3 |
| InChI Key | NLQQIWGMFAJKIH-UHFFFAOYSA-N |
| MDL Number | MFCD15526922 |
| Molecular Formula | C7H5BrFNO |
| Molecular Weight | 218.0231 |
| SMILES | CC(=O)C1=CC(Br)=NC=C1F |
| Synonyms | 1-(2-BROMO-5-FLUOROPYRIDIN-4-YL)ETHANONE,
1114523-56-6,
1-(2-Bromo-5-fluoropyridin-4-yl)ethan-1-one,
SCHEMBL3958923,
DTXSID40649371,
NLQQIWGMFAJKIH-UHFFFAOYSA-N,
2-Bromo-4-acetyl-5-fluoropyridine,
MFCD15526922,
ZINC59128839,
AKOS016008783,
AS-41478,
SC-35770,
1-(2-bromo-5-fluoro-4-pyridinyl)ethanone,
AJ-113283,
FT-0741506,
X5166,
C7H5BrFNO,
ACN-027051,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.025g/mol |
| Monoisotopic Mass | 216.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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