| CAS Number | 1016881-13-2 |
| Catalog Number | AG019US0 |
| Chemical Name | 2-bromo-N-ethyl-4-fluorobenzamide |
| IUPAC Name | 2-bromo-N-ethyl-4-fluorobenzamide |
| InChI | InChI=1S/C9H9BrFNO/c1-2-12-9(13)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | VFQSKPXQIUULPA-UHFFFAOYSA-N |
| MDL Number | MFCD09937257 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | CCNC(C1=C(Br)C=C(F)C=C1)=O |
| Synonyms | 2-bromo-N-ethyl-4-fluorobenzamide,
1016881-13-2,
AC1Q31A1,
CTK6F1922,
ZINC19475074,
AKOS000181557,
MCULE-2950704495,
NE18471,
EN300-42640,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.079g/mol |
| Monoisotopic Mass | 244.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number