| CAS Number | 801303-32-2 |
| Catalog Number | AG00ID3F(AGN-PC-0D27AI) |
| Chemical Name | 1-Propanone, 1-(4-bromo-2-fluorophenyl)-2-methyl- |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C10H10BrFO/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3 |
| InChI Key | YVCRHUDRWIOKCG-UHFFFAOYSA-N |
| MDL Number | MFCD27997256 |
| Molecular Formula | C10H10BrFO |
| Molecular Weight | 245.0882 |
| SMILES | CC(C)C(C1=CC=C(Br)C=C1F)=O |
| Synonyms | 1-(4-Bromo-2-fluorophenyl)-2-methylpropan-1-one,
801303-32-2,
1-(4-Bromo-2-fluorophenyl)-2-methyl-1-propanone,
SCHEMBL2426987,
MFCD27997256,
ZINC98178939,
AKOS022188976,
AK149235,
SY039904,
AJ-140045,
MFCD27997256 (95%),
1-Propanone, 1-(4-bromo-2-fluorophenyl)-2-methyl-,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.091g/mol |
| Monoisotopic Mass | 243.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number