| CAS Number | 1311197-91-7 |
| Catalog Number | AG000VJS(AGN-PC-0WNQBU) |
| Chemical Name | 1-(4-Bromo-2-fluorophenyl)pentan-1-one |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)pentan-1-one |
| InChI | InChI=1S/C11H12BrFO/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h5-7H,2-4H2,1H3 |
| InChI Key | WCMNQUAKMCMKJJ-UHFFFAOYSA-N |
| MDL Number | MFCD19237235 |
| Molecular Formula | C11H12BrFO |
| Molecular Weight | 259.1148 |
| SMILES | CCCCC(=O)c1ccc(cc1F)Br |
| Synonyms | 1-(4-Bromo-2-fluorophenyl)pentan-1-one,
1311197-91-7,
ACMC-209bkv,
CTK8B0080,
DTXSID50716664,
ANW-19277,
MFCD19237235,
ZINC74934350,
AKOS015908099,
BBV-40228300,
AJ-121406,
AX8231578,
TC-108022,
1-Pentanone, 1-(4-bromo-2-fluorophenyl)-,
ST24021085,
Z9550,
A-2819,
I14-24742,
C11H12BrFO,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.118g/mol |
| Monoisotopic Mass | 258.006g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number