| CAS Number | 58722-38-6 |
| Catalog Number | AG00EF70(AGN-PC-0KH8YC) |
| Chemical Name | 2-Bromo-1-[4-(pyrrolidine-1-sulfonyl)phenyl]ethan-1-one |
| IUPAC Name | 2-bromo-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone |
| InChI | InChI=1S/C12H14BrNO3S/c13-9-12(15)10-3-5-11(6-4-10)18(16,17)14-7-1-2-8-14/h3-6H,1-2,7-9H2 |
| InChI Key | DNFXLQROGLQKEF-UHFFFAOYSA-N |
| MDL Number | MFCD06356470 |
| Molecular Formula | C12H14BrNO3S |
| Molecular Weight | 332.2135 |
| SMILES | BrCC(C1=CC=C(S(N2CCCC2)(=O)=O)C=C1)=O |
| Synonyms | 58722-38-6,
2-bromo-1-[4-(pyrrolidine-1-sulfonyl)phenyl]ethan-1-one,
2-BROMO-1-[4-(1-PYRROLIDINYLSULFONYL)PHENYL] ETHANONE,
2-bromo-1-[4-(pyrrolidin-1-ylsulfonyl)phenyl]ethanone,
AC1M8Z9W,
1-[[4-(Bromoacetyl)phenyl]sulfonyl]pyrrolidine,
AC1Q27E8,
CTK5I9275,
DTXSID50368824,
ZINC3379343,
AKOS008965412,
NE37010,
FT-0663870,
EN300-08980,
2-bromo-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone,
ZINC03379343,
CID2497494,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.212g/mol |
| Monoisotopic Mass | 330.988g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number