| CAS Number | 682778-07-0 |
| Catalog Number | AG005XFA(AGN-PC-04PFXL) |
| Chemical Name | 4-Bromo-N,N-diethyl-2-fluorobenzamide |
| IUPAC Name | 4-bromo-N,N-diethyl-2-fluorobenzamide |
| InChI | InChI=1S/C11H13BrFNO/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3 |
| InChI Key | ALFCPMWTMOYQSU-UHFFFAOYSA-N |
| MDL Number | MFCD09932475 |
| Molecular Formula | C11H13BrFNO |
| Molecular Weight | 274.1294 |
| SMILES | CCN(C(=O)c1ccc(cc1F)Br)CC |
| Synonyms | 4-Bromo-N,N-diethyl-2-fluorobenzamide,
682778-07-0,
ACMC-209o2p,
SCHEMBL3341268,
CTK8B2154,
DTXSID50640778,
ALFCPMWTMOYQSU-UHFFFAOYSA-N,
ANW-35471,
ZINC19435152,
AKOS000175359,
MCULE-7742327511,
4-bromo-N,N-diethyl-2-fluoro-benzamide,
CJ-16150,
TC-124216,
V7270,
C11H13BrFNO,
n,n-diethyl-2-fluoro-4-bromobenzamide,
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| Complexity | 221 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.133g/mol |
| Monoisotopic Mass | 273.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number