| CAS Number | 733030-51-8 |
| Catalog Number | AG00ICDW |
| Chemical Name | 3-Chloro-5-ethoxy-4-hydroxybenzoic acid |
| IUPAC Name | 3-chloro-5-ethoxy-4-hydroxybenzoic acid |
| InChI | InChI=1S/C9H9ClO4/c1-2-14-7-4-5(9(12)13)3-6(10)8(7)11/h3-4,11H,2H2,1H3,(H,12,13) |
| InChI Key | AWZRDODNKDGNKP-UHFFFAOYSA-N |
| MDL Number | MFCD04635820 |
| Molecular Formula | C9H9ClO4 |
| Molecular Weight | 216.6184 |
| SMILES | CCOC1=C(O)C(Cl)=CC(C(O)=O)=C1 |
| Synonyms | 3-chloro-5-ethoxy-4-hydroxybenzoic acid,
733030-51-8,
AC1M6NYG,
CTK6G0914,
HMS1760K11,
AC1Q3606,
ZINC3335916,
MFCD04635820,
AKOS000117042,
MCULE-4651916217,
NE30186,
EN300-07783,
SR-01000049274,
SR-01000049274-1,
CID2452065,
3-chloro-5-ethoxy-4-hydroxy-benzoic Acid,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.617g/mol |
| Monoisotopic Mass | 216.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number