| CAS Number | 1341647-72-0 |
| Catalog Number | AG01ACTA |
| Chemical Name | 2-Chloro-4-(2-methoxyethoxy)benzoic acid |
| IUPAC Name | 2-chloro-4-(2-methoxyethoxy)benzoic acid |
| InChI | InChI=1S/C10H11ClO4/c1-14-4-5-15-7-2-3-8(10(12)13)9(11)6-7/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | GURLZSNSNPEKIL-UHFFFAOYSA-N |
| MDL Number | MFCD17256600 |
| Molecular Formula | C10H11ClO4 |
| Molecular Weight | 230.6449 |
| SMILES | COCCOC1=CC(Cl)=C(C(O)=O)C=C1 |
| Synonyms | 2-chloro-4-(2-methoxyethoxy)benzoic acid,
1341647-72-0,
MFCD17256600,
ZINC61848552,
AKOS012244172,
MCULE-4473191859,
NE26092,
2-Chloro-4-(2-methoxyethoxy)benzoic acid, 90%,
A1-12136,
Z1708090043,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.644g/mol |
| Monoisotopic Mass | 230.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number