| CAS Number | 926214-82-6 |
| Catalog Number | AG019D5I(AGN-PC-0WBSGX) |
| Chemical Name | 4-(propan-2-yloxy)naphthalene-1-sulfonyl chloride |
| IUPAC Name | 4-propan-2-yloxynaphthalene-1-sulfonyl chloride |
| InChI | InChI=1S/C13H13ClO3S/c1-9(2)17-12-7-8-13(18(14,15)16)11-6-4-3-5-10(11)12/h3-9H,1-2H3 |
| InChI Key | WLVIEZNFVFSZDP-UHFFFAOYSA-N |
| MDL Number | MFCD09050827 |
| Molecular Formula | C13H13ClO3S |
| Molecular Weight | 284.7585 |
| SMILES | CC(OC1=C2C(C=CC=C2)=C(S(Cl)(=O)=O)C=C1)C |
| Synonyms | 4-isopropoxynaphthalene-1-sulfonyl chloride,
4-(propan-2-yloxy)naphthalene-1-sulfonyl chloride,
926214-82-6,
CTK6B0711,
AKOS000134477,
ZINC100523347,
MCULE-6922919989,
NE48308,
EN300-36976,
4-isopropoxynaphthalene-1-sulfonyl chloride, AldrichCPR,
AC1Q1QMS,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.027393g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.76g/mol |
| Monoisotopic Mass | 284.027393g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number