| CAS Number | 1248313-08-7 |
| Catalog Number | AG01A6J7(AGN-PC-0WO2QX) |
| Chemical Name | 2-bromo-N-cyclobutylaniline |
| IUPAC Name | 2-bromo-N-cyclobutylaniline |
| InChI | InChI=1S/C10H12BrN/c11-9-6-1-2-7-10(9)12-8-4-3-5-8/h1-2,6-8,12H,3-5H2 |
| InChI Key | JBFPNYCXEMRSHH-UHFFFAOYSA-N |
| MDL Number | MFCD16107959 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.1130 |
| SMILES | BrC1=C(NC2CCC2)C=CC=C1 |
| Synonyms | 2-bromo-N-cyclobutylaniline,
1248313-08-7,
2-bromo-N-cyclobutyl-aniline,
SCHEMBL16333934,
JBFPNYCXEMRSHH-UHFFFAOYSA-N,
ZINC44480082,
AKOS011050096,
NE56055,
A1-10815,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.117g/mol |
| Monoisotopic Mass | 225.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number