| CAS Number | 121315-24-0 |
| Catalog Number | AG003JZH(AGN-PC-0WAJMX) |
| Chemical Name | 4-(2-Chloroethylsulfonyl)butanoic Acid |
| IUPAC Name | 4-(2-chloroethylsulfonyl)butanoic acid |
| InChI | InChI=1S/C6H11ClO4S/c7-3-5-12(10,11)4-1-2-6(8)9/h1-5H2,(H,8,9) |
| InChI Key | XOPHFHGOBYWODX-UHFFFAOYSA-N |
| MDL Number | MFCD13185961 |
| Molecular Formula | C6H11ClO4S |
| Molecular Weight | 214.6671 |
| SMILES | OC(=O)CCCS(=O)(=O)CCCl |
| Synonyms | 4-(2-Chloroethylsulfonyl)butyric Acid,
121315-24-0,
4-(2-CHLOROETHYLSULFONYL)BUTANOIC ACID,
75055-25-3,
ACMC-1BF0K,
SCHEMBL9084614,
CTK4B2308,
ANW-17586,
MFCD13185961,
ZINC71791041,
AKOS015850779,
4-((2-Chloroethyl)sulfonyl)butanoic acid,
AN-36998,
TR-034503,
055C253,
I14-105987,
4- BUTANOICACID,
C2428,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.66g/mol |
| Monoisotopic Mass | 214.007g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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Packing Group
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Precautionary statements
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P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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UN Code
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Certificate of Analysis
Lot Number