| CAS Number | 1065073-98-4 |
| Catalog Number | AG003SZ7(AGN-PC-0WAEK4) |
| Chemical Name | N-Ethyl 3-bromo-4-fluorobenzamide |
| IUPAC Name | 3-bromo-N-ethyl-4-fluorobenzamide |
| InChI | InChI=1S/C9H9BrFNO/c1-2-12-9(13)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | CDEMMEBEXFRGFM-UHFFFAOYSA-N |
| MDL Number | MFCD11053796 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | CCNC(=O)c1ccc(c(c1)Br)F |
| Synonyms | 3-Bromo-N-ethyl-4-fluorobenzamide,
1065073-98-4,
N-ETHYL 3-BROMO-4-FLUOROBENZAMIDE,
ACMC-2098k3,
SCHEMBL13702278,
CTK4A4559,
DTXSID50595779,
ANW-15361,
MFCD11053796,
ZINC38537081,
AKOS015834208,
RTR-001267,
AJ-95866,
TR-001267,
Z6856,
A-4367,
I01-10820,
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 statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number