| CAS Number | 886763-31-1 |
| Catalog Number | AG019U17 |
| Chemical Name | 2-(2-Bromophenoxy)propan-1-amine |
| IUPAC Name | 2-(2-bromophenoxy)propan-1-amine |
| InChI | InChI=1S/C9H12BrNO/c1-7(6-11)12-9-5-3-2-4-8(9)10/h2-5,7H,6,11H2,1H3 |
| InChI Key | OVUQVGJSOPILOW-UHFFFAOYSA-N |
| MDL Number | MFCD07374146 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CC(OC1=C(Br)C=CC=C1)CN |
| Synonyms | 1-[(1-AMINOPROPAN-2-YL)OXY]-2-BROMOBENZENE,
886763-31-1,
2-(2-BROMOPHENOXY)PROPAN-1-AMINE,
SCHEMBL6995145,
AKOS010957732,
AB38866,
MCULE-5141174590,
NE28724,
Z1335709095,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number