| CAS Number | 1369594-41-1 |
| Catalog Number | AG0012LD(AGN-PC-0WD354) |
| Chemical Name | Ethanone, 1-(4-bromo-2-fluoro-6-hydroxyphenyl)- |
| IUPAC Name | 1-(4-bromo-2-fluoro-6-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6BrFO2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-3,12H,1H3 |
| InChI Key | XBMQVSSFLZUGNA-UHFFFAOYSA-N |
| MDL Number | MFCD11846605 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | C(=O)(C)c1c(F)cc(cc1O)Br |
| Synonyms | 1-(4-Bromo-2-fluoro-6-hydroxyphenyl)ethanone,
1369594-41-1,
1-(4-Bromo-2-fluoro-6-hydroxyphenyl)ethan-1-one,
Intermediates-ZCF02057,
SCHEMBL903548,
DTXSID20735867,
MFCD22570395,
ZINC95642959,
FCH2304956,
AS-41488,
PC501799,
AJ-133443,
AX8259900,
CS-0038297,
ST24037310,
Ethanone, 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-,
4-Bromo-2-fluoro-6-hydroxyacetophenone,
1-(4-bromo-2-fluoro-6-hydroxyphenyl)-Ethanone,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number