| CAS Number | 1251351-08-2 |
| Catalog Number | AG000N8D(AGN-PC-0NU7CU) |
| Chemical Name | 4-Bromo-N-ethyl-3-fluorobenzamide |
| IUPAC Name | 4-bromo-N-ethyl-3-fluorobenzamide |
| InChI | InChI=1S/C9H9BrFNO/c1-2-12-9(13)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | RANSMOUZDHCGGN-UHFFFAOYSA-N |
| MDL Number | MFCD16084877 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | CCNC(=O)c1ccc(c(c1)F)Br |
| Synonyms | 4-Bromo-N-ethyl-3-fluorobenzamide,
1251351-08-2,
ACMC-209atp,
CTK8A9584,
DTXSID10677727,
ANW-18299,
ZINC43578619,
AKOS010971516,
Benzamide, 4-bromo-N-ethyl-3-fluoro-,
TC-107044,
Z8857,
C9H9BrFNO,
|
| 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
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number