| CAS Number | 108544-97-4 |
| Catalog Number | AG0083KO(AGN-PC-04Q021) |
| Chemical Name | 2,3-Dichloro-4-hydroxy-5-methoxybenzoic acid |
| IUPAC Name | 2,3-dichloro-4-hydroxy-5-methoxybenzoic acid |
| InChI | InChI=1S/C8H6Cl2O4/c1-14-4-2-3(8(12)13)5(9)6(10)7(4)11/h2,11H,1H3,(H,12,13) |
| InChI Key | PIUZBDHQOOFIPU-UHFFFAOYSA-N |
| MDL Number | MFCD00210408 |
| Molecular Formula | C8H6Cl2O4 |
| Molecular Weight | 237.0368 |
| SMILES | COc1cc(C(=O)O)c(c(c1O)Cl)Cl |
| Synonyms | 108544-97-4,
2,3-Dichloro-4-hydroxy-5-methoxybenzoic acid,
Benzoic acid,2,3-dichloro-4-hydroxy-5-methoxy-,
5,6-DICHLORO-4-HYDROXY-3-METHOXYBENZOIC ACID,
ACMC-20mbku,
SCHEMBL14906964,
CTK4A6080,
ZINC2558081,
MFCD00210408,
DB-059764,
FT-0619818,
5,6-dichloro-4-hydroxy-3-methoxybenzoic acid, AldrichCPR,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.032g/mol |
| Monoisotopic Mass | 235.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number