| CAS Number | 369638-66-4 |
| Catalog Number | AG01AB2C(AGN-PC-0WO9UA) |
| Chemical Name | 2-Methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride |
| IUPAC Name | 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride |
| InChI | InChI=1S/C9H9ClO3S/c1-6-4-7-5-8(14(10,11)12)2-3-9(7)13-6/h2-3,5-6H,4H2,1H3 |
| InChI Key | YVCGMKIEGXZBRZ-UHFFFAOYSA-N |
| MDL Number | MFCD11131901 |
| Molecular Formula | C9H9ClO3S |
| Molecular Weight | 232.6840 |
| SMILES | CC1OC2=C(C=C(S(Cl)(=O)=O)C=C2)C1 |
| Synonyms | 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride,
369638-66-4,
AC1Q2QPK,
5-Benzofuransulfonylchloride,2,3-dihydro-2-methyl-,
SCHEMBL14747685,
AKOS000216206,
AKOS022473860,
NE26767,
EN300-70267,
5-Benzofuransulfonyl chloride, 2,3-dihydro-2-methyl-,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.678g/mol |
| Monoisotopic Mass | 231.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number