| CAS Number | 771584-35-1 |
| Catalog Number | AG00GR60 |
| Chemical Name | 2-(4-Bromobenzenesulfonyl)ethan-1-amine |
| IUPAC Name | 2-(4-bromophenyl)sulfonylethanamine |
| InChI | InChI=1S/C8H10BrNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6,10H2 |
| InChI Key | UJBDHNFPJMRHII-UHFFFAOYSA-N |
| MDL Number | MFCD06213355 |
| Molecular Formula | C8H10BrNO2S |
| Molecular Weight | 264.1395 |
| SMILES | NCCS(C1=CC=C(Br)C=C1)(=O)=O |
| Synonyms | 2-(4-bromobenzenesulfonyl)ethan-1-amine,
771584-35-1,
SCHEMBL13586189,
2-(4-bromophenyl)sulfonylethanamine,
ZINC11896395,
AKOS008013810,
MCULE-4433490518,
NE50936,
2-(4-bromophenylsulfonyl)ethan-1-amine,
2-[(4-bromobenzene)sulfonyl]ethan-1-amine,
EN300-74298,
A1-05629,
Z46280033,
ethanamine,2-[(4-bromophenyl)sulfonyl]-,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.137g/mol |
| Monoisotopic Mass | 262.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number