| CAS Number | 918811-37-7 |
| Catalog Number | AG006BUK(AGN-PC-0JEFK1) |
| Chemical Name | Benzamide, 4-bromo-N,N-diethyl-2-formyl- |
| IUPAC Name | 4-bromo-N,N-diethyl-2-formylbenzamide |
| InChI | InChI=1S/C12H14BrNO2/c1-3-14(4-2)12(16)11-6-5-10(13)7-9(11)8-15/h5-8H,3-4H2,1-2H3 |
| InChI Key | YHDIJEHNKGIQEQ-UHFFFAOYSA-N |
| MDL Number | MFCD27932811 |
| Molecular Formula | C12H14BrNO2 |
| Molecular Weight | 284.1491 |
| SMILES | CCN(C(C1=C(C=O)C=C(Br)C=C1)=O)CC |
| Synonyms | 4-bromo-n,n-diethyl-2-formylbenzamide,
918811-37-7,
Benzamide, 4-bromo-N,N-diethyl-2-formyl-,
SCHEMBL5002903,
CTK3H5834,
DTXSID20845137,
ZINC90449443,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.153g/mol |
| Monoisotopic Mass | 283.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number