| CAS Number | 1195264-76-6 |
| Catalog Number | AG01A59O |
| Chemical Name | 4-Chloro-2-ethoxybenzoic acid |
| IUPAC Name | 4-chloro-2-ethoxybenzoic acid |
| InChI | InChI=1S/C9H9ClO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | JYELDIDGIRZNPI-UHFFFAOYSA-N |
| MDL Number | MFCD14646682 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | CCOC1=C(C(O)=O)C=CC(Cl)=C1 |
| Synonyms | 4-chloro-2-ethoxybenzoic acid,
1195264-76-6,
4-chloro-2-ethoxy-benzoic acid,
Benzoic acid, 4-chloro-2-ethoxy-,
SCHEMBL1546386,
JYELDIDGIRZNPI-UHFFFAOYSA-N,
ZINC42224325,
AKOS009076682,
NE31534,
44230-EP2311814A1,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number