| CAS Number | 923207-43-6 |
| Catalog Number | AG01AA84 |
| Chemical Name | Propyl 4-(chlorosulfonyl)benzoate |
| IUPAC Name | propyl 4-chlorosulfonylbenzoate |
| InChI | InChI=1S/C10H11ClO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h3-6H,2,7H2,1H3 |
| InChI Key | XBTYFDSZELIUFF-UHFFFAOYSA-N |
| MDL Number | MFCD08445095 |
| Molecular Formula | C10H11ClO4S |
| Molecular Weight | 262.7099 |
| SMILES | CCCOC(C1=CC=C(S(Cl)(=O)=O)C=C1)=O |
| Synonyms | propyl 4-(chlorosulfonyl)benzoate,
923207-43-6,
AC1Q2Y81,
CTK6E5602,
AKOS000136521,
ZINC100531223,
NE13904,
EN300-67408,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.704g/mol |
| Monoisotopic Mass | 262.007g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number