| CAS Number | 102855-24-3 |
| Catalog Number | AG00H9VF(AGN-PC-00CVQF) |
| Chemical Name | 4-Chloro-1-tosyl-1H-indole |
| IUPAC Name | 4-chloro-1-(4-methylphenyl)sulfonylindole |
| InChI | InChI=1S/C15H12ClNO2S/c1-11-5-7-12(8-6-11)20(18,19)17-10-9-13-14(16)3-2-4-15(13)17/h2-10H,1H3 |
| InChI Key | NDOGSZQEUDSEAI-UHFFFAOYSA-N |
| MDL Number | MFCD28130224 |
| Molecular Formula | C15H12ClNO2S |
| Molecular Weight | 305.7793 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)n1ccc2c(Cl)cccc12 |
| Synonyms | 4-Chloro-1-tosyl-1H-indole,
102855-24-3,
1H-Indole, 4-chloro-1-[(4-methylphenyl)sulfonyl]-,
ACMC-20m5t8,
SCHEMBL4560894,
CTK0G7367,
DTXSID40469637,
NDOGSZQEUDSEAI-UHFFFAOYSA-N,
MFCD28130224,
ZINC136933537,
4-chloro-1-(toluene-4-sulfonyl)-1H-indole,
CS-0039148,
FT-0704133,
CID11623683,
4-chloro-1-(4-methylphenyl)sulfonyl-indole,
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| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.776g/mol |
| Monoisotopic Mass | 305.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number