| CAS Number | 53552-95-7 |
| Catalog Number | AG00DBBE(AGN-PC-02UOEK) |
| Chemical Name | 2,3-Dichloro-5-(chlorosulfonyl)benzoic acid |
| IUPAC Name | 2,3-dichloro-5-chlorosulfonylbenzoic acid |
| InChI | InChI=1S/C7H3Cl3O4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12) |
| InChI Key | XXGZTPVQCLURSV-UHFFFAOYSA-N |
| MDL Number | MFCD09835179 |
| Molecular Formula | C7H3Cl3O4S |
| Molecular Weight | 289.5203 |
| SMILES | OC(C1=C(Cl)C(Cl)=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 2,3-Dichloro-5-(chlorosulfonyl)benzoic acid,
53552-95-7,
SCHEMBL2535095,
CTK4J8356,
DTXSID00608222,
XXGZTPVQCLURSV-UHFFFAOYSA-N,
AC1Q7278,
7629AB,
AKOS009265978,
ZINC100057731,
MCULE-2790546266,
NE24813,
2,3-dichloro-5-chlorosulfonylbenzoic acid,
TL8003518,
FT-0748343,
EN300-59756,
C7H3Cl3O4S,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.882g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.507g/mol |
| Monoisotopic Mass | 287.882g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number