| CAS Number | 125808-05-1 |
| Catalog Number | AG01DYM5 |
| Chemical Name | 1-Bromo-4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene |
| IUPAC Name | 1-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene |
| InChI | InChI=1S/C13H19BrO4/c1-15-6-7-16-8-9-17-10-11-18-13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3 |
| InChI Key | XYMRNKPBIQIHHI-UHFFFAOYSA-N |
| MDL Number | MFCD26319147 |
| Molecular Formula | C13H19BrO4 |
| Molecular Weight | 319.1916 |
| SMILES | BrC1=CC=C(C=C1)OCCOCCOCCOC |
| Synonyms | 1-bromo-4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene,
125808-05-1,
SCHEMBL9811777,
AKOS034047216,
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]-4-bromobenzene,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.195g/mol |
| Monoisotopic Mass | 318.047g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number