| CAS Number | 22795-37-5 |
| Catalog Number | AG00BJ03(AGN-PC-00K5BU) |
| Chemical Name | 1-Butanesulfonyl chloride, 3-methyl- |
| IUPAC Name | 3-methylbutane-1-sulfonyl chloride |
| InChI | InChI=1S/C5H11ClO2S/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3 |
| InChI Key | CAOXTJCSAJIUGW-UHFFFAOYSA-N |
| MDL Number | MFCD09758974 |
| Molecular Formula | C5H11ClO2S |
| Molecular Weight | 170.6576 |
| SMILES | CC(CCS(=O)(=O)Cl)C |
| Synonyms | 3-methylbutane-1-sulfonyl chloride,
22795-37-5,
AC1Q1PHM,
1-Isobutylsulfonyl chloride,
SCHEMBL2379781,
CAOXTJCSAJIUGW-UHFFFAOYSA-N,
3-methyl-butane-1-sulfonyl chloride,
MFCD09758974,
1-Butanesulfonyl chloride, 3-methyl-,
AKOS010078192,
ZINC100507844,
NE26664,
3-Methylbutane-1-sulfonic acid chloride,
BS-13097,
EN300-66646,
3-methyl-butane-1-sulfonyl chloride, AldrichCPR,
N/A,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.651g/mol |
| Monoisotopic Mass | 170.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number