| CAS Number | 1033464-75-3 |
| Catalog Number | AG00J2R4(AGN-PC-0WB63I) |
| Chemical Name | 2-Methyl-2H-benzo[d][1,2,3]triazole-4-sulfonyl chloride |
| IUPAC Name | 2-methylbenzotriazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H6ClN3O2S/c1-11-9-5-3-2-4-6(7(5)10-11)14(8,12)13/h2-4H,1H3 |
| InChI Key | QZQHYAJAYCBGFU-UHFFFAOYSA-N |
| MDL Number | MFCD19200537 |
| Molecular Formula | C7H6ClN3O2S |
| Molecular Weight | 231.6594 |
| SMILES | C12C(C=CC=C1S(Cl)(=O)=O)=NN(C)N=2 |
| Synonyms | 1033464-75-3,
2-methyl-2H-1,2,3-benzotriazole-4-sulfonyl chloride,
2-methyl-2H-benzotriazole-4-sulfonyl chloride,
2-Methyl-2H-benzo[d][1,2,3]triazole-4-sulfonyl chloride,
SCHEMBL4749805,
ZX-CM010465,
FCH926796,
MFCD19200537,
AKOS006333969,
ZINC100295238,
MCULE-6622277186,
EN300-232851,
Y-8065,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number