| CAS Number | 923191-42-8 |
| Catalog Number | AG019K32 |
| Chemical Name | 2-bromo-4-(2-hydroxyethoxy)benzaldehyde |
| IUPAC Name | 2-bromo-4-(2-hydroxyethoxy)benzaldehyde |
| InChI | InChI=1S/C9H9BrO3/c10-9-5-8(13-4-3-11)2-1-7(9)6-12/h1-2,5-6,11H,3-4H2 |
| InChI Key | VMZQTHBODKWHIP-UHFFFAOYSA-N |
| MDL Number | MFCD08444338 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | OCCOC1=CC(Br)=C(C=O)C=C1 |
| Synonyms | 2-bromo-4-(2-hydroxyethoxy)benzaldehyde,
923191-42-8,
AC1Q7D89,
CTK8A5513,
ZINC9579625,
AKOS009100436,
MCULE-2189613133,
NE50375,
EN300-25338,
2-bromo-4-(2-hydroxyethoxy)benzaldehyde, AldrichCPR,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number