| CAS Number | 923225-99-4 |
| Catalog Number | AG00GUEE(AGN-PC-0WOB5V) |
| Chemical Name | α-Bromo-N-cyclopropyl-4-fluorobenzeneacetamide |
| IUPAC Name | 2-bromo-N-cyclopropyl-2-(4-fluorophenyl)acetamide |
| InChI | InChI=1S/C11H11BrFNO/c12-10(11(15)14-9-5-6-9)7-1-3-8(13)4-2-7/h1-4,9-10H,5-6H2,(H,14,15) |
| InChI Key | NNVQPUIQEPLXIJ-UHFFFAOYSA-N |
| MDL Number | MFCD08691147 |
| Molecular Formula | C11H11BrFNO |
| Molecular Weight | 272.1135 |
| SMILES | O=C(C(C1=CC=C(C=C1)F)Br)NC2CC2 |
| Synonyms | 2-bromo-N-cyclopropyl-2-(4-fluorophenyl)acetamide,
923225-99-4,
AC1Q4M03,
CTK5I5791,
AKOS009103714,
MCULE-3980681502,
NE27945,
EN300-25932,
Alpha-bromo-n-cyclopropyl-4-fluorobenzeneacetamide,
J-519569,
2-(4-aminopiperidin-1-yl)acetamide,
630120-79-5,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.117g/mol |
| Monoisotopic Mass | 271.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number