| CAS Number | 873208-66-3 |
| Catalog Number | AG019OU9 |
| Chemical Name | 9-(4-chlorobenzenesulfonyl)-9-azabicyclo[6.1.0]nonane |
| IUPAC Name | 9-(4-chlorophenyl)sulfonyl-9-azabicyclo[6.1.0]nonane |
| InChI | InChI=1S/C14H18ClNO2S/c15-11-7-9-12(10-8-11)19(17,18)16-13-5-3-1-2-4-6-14(13)16/h7-10,13-14H,1-6H2 |
| InChI Key | WSOWVGXJLPXERY-UHFFFAOYSA-N |
| MDL Number | MFCD07687273 |
| Molecular Formula | C14H18ClNO2S |
| Molecular Weight | 299.8162 |
| SMILES | ClC1=CC=C(S(N2C3C2CCCCCC3)(=O)=O)C=C1 |
| Synonyms | 9-(4-chlorobenzenesulfonyl)-9-azabicyclo[6.1.0]nonane,
873208-66-3,
9-[(4-chlorophenyl)sulfonyl]-9-azabicyclo[6.1.0]nonane,
AC1Q3JAA,
CTK6H0904,
AKOS001170835,
MCULE-7071103270,
NE39213,
EN300-15258,
9-[(4-chlorobenzene)sulfonyl]-9-azabicyclo[6.1.0]nonane,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.813g/mol |
| Monoisotopic Mass | 299.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number