| CAS Number | 1057671-72-3 |
| Catalog Number | AG01AIUC |
| Chemical Name | 3-(4-Bromo-2-fluorophenyl)propan-1-amine |
| IUPAC Name | 3-(4-bromo-2-fluorophenyl)propan-1-amine |
| InChI | InChI=1S/C9H11BrFN/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6H,1-2,5,12H2 |
| InChI Key | CPANZKFIPNQBFM-UHFFFAOYSA-N |
| MDL Number | MFCD09744460 |
| Molecular Formula | C9H11BrFN |
| Molecular Weight | 232.0927 |
| SMILES | NCCCC1=C(F)C=C(Br)C=C1 |
| Synonyms | 3-(4-BROMO-2-FLUOROPHENYL)PROPAN-1-AMINE,
1057671-72-3,
ZINC35321581,
AKOS009481441,
MCULE-7655164643,
NE14400,
EN300-79048,
Z1269702492,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.096g/mol |
| Monoisotopic Mass | 231.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number