| CAS Number | 52206-51-6 |
| Catalog Number | AG00DJCE(AGN-PC-0A9ZAR) |
| Chemical Name | 2-methyl-1,3-benzoxazole-6-sulfonyl chloride |
| IUPAC Name | 2-methyl-1,3-benzoxazole-6-sulfonyl chloride |
| InChI | InChI=1S/C8H6ClNO3S/c1-5-10-7-3-2-6(14(9,11)12)4-8(7)13-5/h2-4H,1H3 |
| InChI Key | NHBYTQPVOGBVBM-UHFFFAOYSA-N |
| MDL Number | MFCD19200560 |
| Molecular Formula | C8H6ClNO3S |
| Molecular Weight | 231.6561 |
| SMILES | CC1OC2=C(C=CC(S(Cl)(=O)=O)=C2)N=1 |
| Synonyms | 2-methyl-1,3-benzoxazole-6-sulfonyl chloride,
52206-51-6,
2-methylbenzo[d]oxazole-6-sulfonyl chloride,
SCHEMBL610347,
NHBYTQPVOGBVBM-UHFFFAOYSA-N,
AKOS006335716,
ZINC100634620,
NE49815,
2-methylbenzoxazole-6-sulfonyl chloride,
6-Benzoxazolesulfonyl chloride, 2-methyl-,
EN300-79482,
2-methyl-6-benzoxazolesulfonyl chloride,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.65g/mol |
| Monoisotopic Mass | 230.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number