| CAS Number | 1254073-62-5 |
| Catalog Number | AG01A30U |
| Chemical Name | 2,3-Dichloro-4-methylbenzoic acid |
| IUPAC Name | 2,3-dichloro-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | PBUDJTSPOLSTQE-UHFFFAOYSA-N |
| MDL Number | MFCD22628450 |
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 205.0380 |
| SMILES | O=C(O)C1=CC=C(C)C(Cl)=C1Cl |
| Synonyms | 2,3-dichloro-4-methylbenzoic acid,
1254073-62-5,
SCHEMBL109811,
PBUDJTSPOLSTQE-UHFFFAOYSA-N,
MFCD22628450,
ZINC88611637,
AKOS027365524,
MCULE-1460145556,
FT-0707875,
Z1695926086,
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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