| CAS Number | 877383-76-1 |
| Catalog Number | AG004LNX(AGN-PC-04PRYT) |
| Chemical Name | 4-Bromo-2-fluoro-N-isopropylbenzamide |
| IUPAC Name | 4-bromo-2-fluoro-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3,(H,13,14) |
| InChI Key | OVZFSVKPKOLFRT-UHFFFAOYSA-N |
| MDL Number | MFCD09949819 |
| Molecular Formula | C10H11BrFNO |
| Molecular Weight | 260.1028 |
| SMILES | CC(NC(=O)c1ccc(cc1F)Br)C |
| Synonyms | 4-Bromo-2-fluoro-N-isopropylbenzamide,
877383-76-1,
ACMC-209qpo,
SCHEMBL3345916,
CTK8B2542,
DTXSID40640969,
OVZFSVKPKOLFRT-UHFFFAOYSA-N,
ANW-38890,
ZINC19517845,
AKOS000197250,
MCULE-2318346052,
CJ-16182,
TC-127635,
4-Bromo-2-fluoro-N-(propan-2-yl)benzamide,
V8547,
4-bromo-2-fluoro-N-(1-methylethyl)-benzamide,
C10H11BrFNO,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.106g/mol |
| Monoisotopic Mass | 259.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number