| CAS Number | 363166-11-4 |
| Catalog Number | AG01EHXM(AGN-PC-0CRV4U) |
| Chemical Name | 4-Bromo-3,5-diethoxybenzaldehyde |
| IUPAC Name | 4-bromo-3,5-diethoxybenzaldehyde |
| InChI | InChI=1S/C11H13BrO3/c1-3-14-9-5-8(7-13)6-10(11(9)12)15-4-2/h5-7H,3-4H2,1-2H3 |
| InChI Key | JLAUQFYXUIJUQP-UHFFFAOYSA-N |
| MDL Number | MFCD20483830 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | BrC1=C(C=C(C=O)C=C1OCC)OCC |
| Synonyms | 4-Bromo-3,5-diethoxybenzaldehyde,
363166-11-4,
SCHEMBL1121698,
JLAUQFYXUIJUQP-UHFFFAOYSA-N,
4-bromo-3,5-diethoxy-benzaldehyde,
ZINC115284174,
FT-0702454,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number