| CAS Number | 551926-70-6 |
| Catalog Number | AG019K7B |
| Chemical Name | N-(4-BROMO-2-FLUOROPHENYL)-3-CHLOROPROPANAMIDE |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-3-chloropropanamide |
| InChI | InChI=1S/C9H8BrClFNO/c10-6-1-2-8(7(12)5-6)13-9(14)3-4-11/h1-2,5H,3-4H2,(H,13,14) |
| InChI Key | ZSMCIULDCHIWPQ-UHFFFAOYSA-N |
| MDL Number | MFCD01358343 |
| Molecular Formula | C9H8BrClFNO |
| Molecular Weight | 280.5213 |
| SMILES | FC1=C(NC(CCCl)=O)C=CC(Br)=C1 |
| Synonyms | N-(4-bromo-2-fluorophenyl)-3-chloropropanamide,
551926-70-6,
AC1NAQFF,
AC1Q4LEL,
CTK6H7337,
ZINC5670526,
MFCD01358343,
AKOS000118099,
MCULE-2527406996,
NE26963,
UPCMLD0ENAT5860446:001,
EN300-25829,
CID4456031,
N-(4-bromo-2-fluoro-phenyl)-3-chloro-propanamide,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.521g/mol |
| Monoisotopic Mass | 278.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number