| CAS Number | 1340221-41-1 |
| Catalog Number | AG01BCZH |
| Chemical Name | 1-bromo-5-(ethanesulfonyl)pentane |
| IUPAC Name | 1-bromo-5-ethylsulfonylpentane |
| InChI | InChI=1S/C7H15BrO2S/c1-2-11(9,10)7-5-3-4-6-8/h2-7H2,1H3 |
| InChI Key | QGHAMZZCPKSIGS-UHFFFAOYSA-N |
| MDL Number | MFCD19677347 |
| Molecular Formula | C7H15BrO2S |
| Molecular Weight | 243.1618 |
| SMILES | CCS(CCCCCBr)(=O)=O |
| Synonyms | 1-bromo-5-(ethanesulfonyl)pentane,
1340221-41-1,
ZINC70051429,
AKOS013528979,
NE16529,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.159g/mol |
| Monoisotopic Mass | 241.998g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number