| CAS Number | 1268334-77-5 |
| Catalog Number | AG00J2HP(AGN-PC-0WB5XR) |
| Chemical Name | 2-Methyl-5-(2-methyloxazol-5-yl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonyl chloride |
| InChI | InChI=1S/C11H10ClNO3S/c1-7-3-4-9(5-11(7)17(12,14)15)10-6-13-8(2)16-10/h3-6H,1-2H3 |
| InChI Key | OLILLWFJVMQMQU-UHFFFAOYSA-N |
| MDL Number | MFCD18447675 |
| Molecular Formula | C11H10ClNO3S |
| Molecular Weight | 271.7200 |
| SMILES | S(Cl)(=O)(=O)C1C(C)=CC=C(C=1)C1=CN=C(C)O1 |
| Synonyms | 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonyl chloride,
1268334-77-5,
2-methyl-5-(2-methyloxazol-5-yl)benzene-1-sulfonyl chloride,
BB_SC-09810,
ZX-CM009699,
BBL032942,
MFCD18447675,
STL146876,
AKOS005747153,
ZINC100293935,
MCULE-4346975540,
Y-7945,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.715g/mol |
| Monoisotopic Mass | 271.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number