| CAS Number | 1016867-46-1 |
| Catalog Number | AG019KYU |
| Chemical Name | 2-bromo-N-(2-fluorophenyl)-3-methylbutanamide |
| IUPAC Name | 2-bromo-N-(2-fluorophenyl)-3-methylbutanamide |
| InChI | InChI=1S/C11H13BrFNO/c1-7(2)10(12)11(15)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15) |
| InChI Key | YQQTWZCTTQOPDD-UHFFFAOYSA-N |
| MDL Number | MFCD09938064 |
| Molecular Formula | C11H13BrFNO |
| Molecular Weight | 274.1294 |
| SMILES | CC(C(C(NC1=C(F)C=CC=C1)=O)Br)C |
| Synonyms | 2-bromo-N-(2-fluorophenyl)-3-methylbutanamide,
1016867-46-1,
AC1Q1NZX,
CTK6A3619,
AKOS000180005,
AKOS016903668,
MCULE-7654136175,
NE19152,
NCGC00336464-01,
EN300-29054,
AB01330958-02,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.133g/mol |
| Monoisotopic Mass | 273.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number