| CAS Number | 2092694-26-1 |
| Catalog Number | AG01BTNS |
| Chemical Name | 4,5,6,7-Tetrahydro-1,2-benzoxazol-3-ylmethanesulfonyl chloride |
| IUPAC Name | 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanesulfonyl chloride |
| InChI | InChI=1S/C8H10ClNO3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-5H2 |
| InChI Key | WTVIKCCVASEAII-UHFFFAOYSA-N |
| MDL Number | MFCD31381311 |
| Molecular Formula | C8H10ClNO3S |
| Molecular Weight | 235.6879 |
| SMILES | ClS(CC1C2=C(CCCC2)ON=1)(=O)=O |
| Synonyms | (4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanesulfonyl chloride,
2092694-26-1,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.682g/mol |
| Monoisotopic Mass | 235.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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