| CAS Number | 732291-87-1 |
| Catalog Number | AG00ICDM(AGN-PC-0WR4FJ) |
| Chemical Name | 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N,N-dimethylacetamide |
| IUPAC Name | 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N,N-dimethylacetamide |
| InChI | InChI=1S/C12H14BrNO4/c1-14(2)11(16)7-18-12-9(13)4-8(6-15)5-10(12)17-3/h4-6H,7H2,1-3H3 |
| InChI Key | KCSLLSVWDHNHGG-UHFFFAOYSA-N |
| MDL Number | MFCD04633430 |
| Molecular Formula | C12H14BrNO4 |
| Molecular Weight | 316.1479 |
| SMILES | COC1=C(OCC(N(C)C)=O)C(Br)=CC(C=O)=C1 |
| Synonyms | 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N,N-dimethylacetamide,
732291-87-1,
AC1M7EFU,
AC1Q474E,
CTK7H8531,
ZINC3300896,
MFCD04633430,
AKOS008966993,
MCULE-8137593320,
NE47515,
EN300-07659,
ZINC03300896,
CID2416542,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.151g/mol |
| Monoisotopic Mass | 315.011g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number