| CAS Number | 857595-32-5 |
| Catalog Number | AG01BI9K |
| Chemical Name | 5-Bromo-2-tert-butylaniline |
| IUPAC Name | 5-bromo-2-tert-butylaniline |
| InChI | InChI=1S/C10H14BrN/c1-10(2,3)8-5-4-7(11)6-9(8)12/h4-6H,12H2,1-3H3 |
| InChI Key | YHMAZMCTRSJZOK-UHFFFAOYSA-N |
| MDL Number | MFCD09966024 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | CC(C1=C(N)C=C(Br)C=C1)(C)C |
| Synonyms | 5-bromo-2-tert-butylaniline,
857595-32-5,
5-bromo-2-tert-butylphenylamine,
CTK5I6860,
2-(tert-butyl)-5-bromophenylamine,
SBB097246,
ZINC19801650,
CID11959031,
AE-562/43287131,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.133g/mol |
| Monoisotopic Mass | 227.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number