| CAS Number | 1016835-63-4 |
| Catalog Number | AG01A8RL |
| Chemical Name | 4-[2-chloro-4-(chlorosulfonyl)phenoxy]butanoic acid |
| IUPAC Name | 4-(2-chloro-4-chlorosulfonylphenoxy)butanoic acid |
| InChI | InChI=1S/C10H10Cl2O5S/c11-8-6-7(18(12,15)16)3-4-9(8)17-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14) |
| InChI Key | UKSQVSZVYCKHGL-UHFFFAOYSA-N |
| MDL Number | MFCD09950718 |
| Molecular Formula | C10H10Cl2O5S |
| Molecular Weight | 313.1544 |
| SMILES | OC(CCCOC1=C(Cl)C=C(S(Cl)(=O)=O)C=C1)=O |
| Synonyms | 4-[2-chloro-4-(chlorosulfonyl)phenoxy]butanoic acid,
1016835-63-4,
AC1Q75IY,
AKOS000196577,
ZINC100611550,
MCULE-2979121687,
NE20964,
EN300-62389,
4-[2-chloro-4-(chlorosulfonyl)phenoxy]butanoic acid, AldrichCPR,
4-(2-Chloro-4-chlorosulfonyl-phenoxy)-butyric acid,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.145g/mol |
| Monoisotopic Mass | 311.963g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number