| CAS Number | 1258652-21-9 |
| Catalog Number | AG019RJY |
| Chemical Name | 3-(Chlorosulfonyl)naphthalene-1-carboxylic acid |
| IUPAC Name | 3-chlorosulfonylnaphthalene-1-carboxylic acid |
| InChI | InChI=1S/C11H7ClO4S/c12-17(15,16)8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,(H,13,14) |
| InChI Key | JRFYPKSICGXQGM-UHFFFAOYSA-N |
| MDL Number | MFCD17977210 |
| Molecular Formula | C11H7ClO4S |
| Molecular Weight | 270.6889 |
| SMILES | OC(C1=C2C(C=CC=C2)=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 3-(chlorosulfonyl)naphthalene-1-carboxylic acid,
1258652-21-9,
EN300-89856,
AC1Q72NQ,
ZINC100646704,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.683g/mol |
| Monoisotopic Mass | 269.975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number