| CAS Number | 57479-73-9 |
| Catalog Number | AG00EKBN(AGN-PC-0N5T20) |
| Chemical Name | 4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid |
| IUPAC Name | 4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H6Cl2O5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | KGGQSUTYQMJRNQ-UHFFFAOYSA-N |
| MDL Number | MFCD22565622 |
| Molecular Formula | C8H6Cl2O5S |
| Molecular Weight | 285.1012 |
| SMILES | COC1=C(C(O)=O)C=C(S(Cl)(=O)=O)C(Cl)=C1 |
| Synonyms | 4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid,
57479-73-9,
4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid,
SCHEMBL10721874,
DTXSID90441185,
AKOS022172357,
ZINC100089265,
NE21607,
QC-8558,
AB0097326,
CID10517227,
4-chloro-5-chlorosulfonyl-2-methoxy-benzoic Acid,
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| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.091g/mol |
| Monoisotopic Mass | 283.931g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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