| CAS Number | 881583-94-4 |
| Catalog Number | AG01FOB3(AGN-PC-0WBWJU) |
| Chemical Name | 3-Bromo-4-(2-methoxyethoxy)benzoic acid |
| IUPAC Name | 3-bromo-4-(2-methoxyethoxy)benzoic acid |
| InChI | InChI=1S/C10H11BrO4/c1-14-4-5-15-9-3-2-7(10(12)13)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | IOAQVPYHRCQXSZ-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO4 |
| Molecular Weight | 275.0959 |
| SMILES | COCCOC1=C(C=C(C=C1)C(=O)O)Br |
| Synonyms | 3-bromo-4-(2-methoxyethoxy)benzoic acid,
AN-329/43341639,
881583-94-4,
ARONIS011048,
CTK7B3745,
BBB/307,
ZINC8722855,
ZX-AS003546,
SBB079988,
STL066189,
AKOS000319461,
MCULE-3615706805,
KS-000042A1,
BB0287999,
TR-048087,
ST45047767,
CID11839085,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.098g/mol |
| Monoisotopic Mass | 273.984g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number