| CAS Number | 1160573-37-4 |
| Catalog Number | AG01DZQW |
| Chemical Name | 2,5-Dichloro-3-methylbenzoic acid |
| IUPAC Name | 2,5-dichloro-3-methylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | BKNLUUIVGULQEY-UHFFFAOYSA-N |
| MDL Number | MFCD11846004 |
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 205.0380 |
| SMILES | c1c(cc(c(c1C)Cl)C(=O)O)Cl |
| Synonyms | 2,5-Dichloro-3-methylbenzoic acid,
1160573-37-4,
SCHEMBL8148635,
ZINC36532839,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.974485g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.03g/mol |
| Monoisotopic Mass | 203.974485g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number