| CAS Number | 671790-55-9 |
| Catalog Number | AG00JCCR(AGN-PC-0WC1SF) |
| Chemical Name | 3-Bromo-5-ethoxy-4-methoxybenzoic acid |
| IUPAC Name | 3-bromo-5-ethoxy-4-methoxybenzoic acid |
| InChI | InChI=1S/C10H11BrO4/c1-3-15-8-5-6(10(12)13)4-7(11)9(8)14-2/h4-5H,3H2,1-2H3,(H,12,13) |
| InChI Key | XMSFRLWXACSEEG-UHFFFAOYSA-N |
| MDL Number | MFCD04623645 |
| Molecular Formula | C10H11BrO4 |
| Molecular Weight | 275.0959 |
| SMILES | CCOC1=C(OC)C(Br)=CC(C(O)=O)=C1 |
| Synonyms | 3-bromo-5-ethoxy-4-methoxybenzoic acid,
671790-55-9,
AC1M6HPD,
SCHEMBL14907059,
CTK6G0915,
AC1Q3605,
ALBB-009098,
ZINC3282842,
BBL014058,
MFCD04623645,
STK500965,
AKOS005171911,
MCULE-6257974141,
TR-060987,
R8502,
EN300-08716,
Z56946200,
CID2398406,
3-bromo-5-ethoxy-4-methoxy-benzoic Acid,
|
| Complexity | 222 |
| 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 | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number