| CAS Number | 1393442-26-6 |
| Catalog Number | AG009WZD(AGN-PC-0WAA5B) |
| Chemical Name | 4-Bromo-N,N-diethyl-2-methoxybenzamide |
| IUPAC Name | 4-bromo-N,N-diethyl-2-methoxybenzamide |
| InChI | InChI=1S/C12H16BrNO2/c1-4-14(5-2)12(15)10-7-6-9(13)8-11(10)16-3/h6-8H,4-5H2,1-3H3 |
| InChI Key | ATMLODFHTDQHTO-UHFFFAOYSA-N |
| MDL Number | MFCD22383681 |
| Molecular Formula | C12H16BrNO2 |
| Molecular Weight | 286.1649 |
| SMILES | CCN(C(=O)c1ccc(cc1OC)Br)CC |
| Synonyms | 4-BROMO-N,N-DIETHYL-2-METHOXYBENZAMIDE,
1393442-26-6,
KM3752,
ZINC95495537,
AKOS017467191,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.169g/mol |
| Monoisotopic Mass | 285.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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