| CAS Number | 1270372-06-9 |
| Catalog Number | AG01AFKL |
| Chemical Name | 1-(3-BROMO-5-FLUOROPHENYL)PROPAN-1-AMINE |
| IUPAC Name | 1-(3-bromo-5-fluorophenyl)propan-1-amine |
| InChI | InChI=1S/C9H11BrFN/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9H,2,12H2,1H3 |
| InChI Key | WFGZEDKDVSOQAS-UHFFFAOYSA-N |
| MDL Number | MFCD18660093 |
| Molecular Formula | C9H11BrFN |
| Molecular Weight | 232.0927 |
| SMILES | CCC(C1=CC(Br)=CC(F)=C1)N |
| Synonyms | 1-(3-bromo-5-fluorophenyl)propan-1-amine,
1270372-06-9,
AKOS015155846,
NE39880,
A1-08427,
(R)-1-(3-BROMO-5-FLUOROPHENYL)PROPAN-1-AMINE,
(S)-1-(3-BROMO-5-FLUOROPHENYL)PROPAN-1-AMINE,
1213633-51-2,
1269979-38-5,
|
| Complexity | 143 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number