| CAS Number | 1033464-77-5 |
| Catalog Number | AG00J2QC(AGN-PC-0WB63M) |
| Chemical Name | 1-Methyl-1h-1,2,3-benzotriazole-4-sulfonyl chloride |
| IUPAC Name | 1-methylbenzotriazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H6ClN3O2S/c1-11-5-3-2-4-6(14(8,12)13)7(5)9-10-11/h2-4H,1H3 |
| InChI Key | MWCCQCDMLOHIDD-UHFFFAOYSA-N |
| MDL Number | MFCD19200536 |
| Molecular Formula | C7H6ClN3O2S |
| Molecular Weight | 231.6594 |
| SMILES | CN1C2=C(C(S(Cl)(=O)=O)=CC=C2)N=N1 |
| Synonyms | 1033464-77-5,
1-methyl-1H-1,2,3-benzotriazole-4-sulfonyl chloride,
1-methyl-1H-benzotriazole-4-sulfonyl chloride,
1-Methyl-1H-benzo[d][1,2,3]triazole-4-sulfonyl chloride,
MFCD19200536,
AKOS006333671,
ZINC100295105,
MCULE-6547522734,
Y-8064,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.654g/mol |
| Monoisotopic Mass | 230.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number