| CAS Number | 25141-38-2 |
| Catalog Number | AG01BTDK |
| Chemical Name | 2-(5-Chloro-2-Methylphenoxy)Acetic Acid |
| IUPAC Name | 2-(5-chloro-2-methylphenoxy)acetic acid |
| InChI | InChI=1S/C9H9ClO3/c1-6-2-3-7(10)4-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | AXHCGXRBOHBEQA-UHFFFAOYSA-N |
| MDL Number | MFCD08575633 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | CC1=C(C=C(C=C1)Cl)OCC(=O)O |
| Synonyms | (5-chloro-2-methylphenoxy)acetic acid,
2-(5-chloro-2-methylphenoxy)acetic acid,
25141-38-2,
SCHEMBL339942,
AXHCGXRBOHBEQA-UHFFFAOYSA-N,
ZINC9038900,
STK317933,
AKOS000104050,
MCULE-5397340721,
Z274764854,
4-Chloro-o-tolyloxyacetic acid,
(4-Chloro-o-toloxy)acetic acid,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number