| CAS Number | 1600335-61-2 |
| Catalog Number | AG01BBPV |
| Chemical Name | 1-phenyl-1H-1,2,3-triazole-5-sulfonyl chloride |
| IUPAC Name | 3-phenyltriazole-4-sulfonyl chloride |
| InChI | InChI=1S/C8H6ClN3O2S/c9-15(13,14)8-6-10-11-12(8)7-4-2-1-3-5-7/h1-6H |
| InChI Key | XVIFRJNANZCJNU-UHFFFAOYSA-N |
| MDL Number | MFCD28714585 |
| Molecular Formula | C8H6ClN3O2S |
| Molecular Weight | 243.6701 |
| SMILES | ClS(C1N(C2=CC=CC=C2)N=NC=1)(=O)=O |
| Synonyms | 1-phenyl-1H-1,2,3-triazole-5-sulfonyl chloride,
1600335-61-2,
ZINC128821077,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.665g/mol |
| Monoisotopic Mass | 242.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number