| CAS Number | 671790-48-0 |
| Catalog Number | AG00FC50(AGN-PC-0WC1QY) |
| Chemical Name | 3-Bromo-4-ethoxy-5-methoxybenzoic acid |
| IUPAC Name | 3-bromo-4-ethoxy-5-methoxybenzoic acid |
| InChI | InChI=1S/C10H11BrO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5H,3H2,1-2H3,(H,12,13) |
| InChI Key | VDKJPBQKOGGPIJ-UHFFFAOYSA-N |
| MDL Number | MFCD03976236 |
| Molecular Formula | C10H11BrO4 |
| Molecular Weight | 275.0959 |
| SMILES | CCOC1=C(C=C(C=C1OC)C(=O)O)Br |
| Synonyms | 3-bromo-4-ethoxy-5-methoxybenzoic acid,
3-bromo-4-ethoxy-5-methoxy-benzoic Acid,
671790-48-0,
AC1M7RO3,
AC1Q35GY,
SCHEMBL14907068,
CTK6G0111,
ALBB-009009,
ZINC3308499,
BBL014056,
MFCD03976236,
STK500963,
AKOS005172015,
MCULE-7222812722,
TR-060906,
R8202,
EN300-05614,
SR-01000041906,
J-511922,
SR-01000041906-1,
CID2424211,
|
| 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