| CAS Number | 1156314-50-9 |
| Catalog Number | AG019Y4R |
| Chemical Name | 5-bromo-2-(2-ethoxyethoxy)benzaldehyde |
| IUPAC Name | 5-bromo-2-(2-ethoxyethoxy)benzaldehyde |
| InChI | InChI=1S/C11H13BrO3/c1-2-14-5-6-15-11-4-3-10(12)7-9(11)8-13/h3-4,7-8H,2,5-6H2,1H3 |
| InChI Key | NMSTZHXZTSBTEG-UHFFFAOYSA-N |
| MDL Number | MFCD12173549 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | CCOCCOC1=C(C=O)C=C(Br)C=C1 |
| Synonyms | 5-bromo-2-(2-ethoxyethoxy)benzaldehyde,
1156314-50-9,
AC1Q389Z,
CTK6G3925,
ZINC35085891,
AKOS005291397,
MCULE-2163687604,
NE30801,
EN300-56997,
|
| Complexity | 187 |
| 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 | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number