| CAS Number | 17070-55-2 |
| Catalog Number | AG0078BD(AGN-PC-000TL3) |
| Chemical Name | 1,2-Dihydroacenaphthylene-5-sulfonyl chloride |
| IUPAC Name | 1,2-dihydroacenaphthylene-5-sulfonyl chloride |
| InChI | InChI=1S/C12H9ClO2S/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2 |
| InChI Key | KBMKSUPJXFQYRA-UHFFFAOYSA-N |
| MDL Number | MFCD28149397 |
| Molecular Formula | C12H9ClO2S |
| Molecular Weight | 252.7167 |
| SMILES | ClS(C1=C2C3=C(CCC3=CC=C2)C=C1)(=O)=O |
| Synonyms | 17070-55-2,
1,2-DIHYDROACENAPHTHYLENE-5-SULFONYL CHLORIDE,
5-Acenaphthylenesulfonyl chloride, 1,2-dihydro-,
SCHEMBL1108433,
5-acenaphthene sulphonyl chloride,
CTK0E4808,
DTXSID30557931,
Acenaphthene-5-sulfonic acid chloride,
AKOS026733766,
ZINC115252978,
F8885-7389,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.712g/mol |
| Monoisotopic Mass | 252.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number