| CAS Number | 58671-77-5 |
| Catalog Number | AG00IAFB(AGN-PC-0L7238) |
| Chemical Name | 2,6-Dichloro-3-methylbenzoic acid |
| IUPAC Name | 2,6-dichloro-3-methylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | AZSPVSLYCSUHIT-UHFFFAOYSA-N |
| MDL Number | MFCD00089442 |
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 205.0380 |
| SMILES | OC(=O)c1c(Cl)ccc(c1Cl)C |
| Synonyms | 2,6-dichloro-3-methylbenzoic acid,
58671-77-5,
AC1N5O7E,
SCHEMBL11216806,
ZINC4775590,
MFCD00089442,
AKOS024324025,
MCULE-8290192839,
Benzoic acid, 2,6-dichloro-3-methyl-,
Z0713,
Q-7394,
C8H6Cl2O2,
2,6-dichloro-3-methyl-benzoic Acid,
CID4198208,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.034g/mol |
| Monoisotopic Mass | 203.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number