| CAS Number | 910383-85-6 |
| Catalog Number | AG01A0J2 |
| Chemical Name | 1-(3-bromo-4-fluorophenyl)propan-2-amine |
| IUPAC Name | 1-(3-bromo-4-fluorophenyl)propan-2-amine |
| InChI | InChI=1S/C9H11BrFN/c1-6(12)4-7-2-3-9(11)8(10)5-7/h2-3,5-6H,4,12H2,1H3 |
| InChI Key | NBKBPMSITKOWNL-UHFFFAOYSA-N |
| MDL Number | MFCD08452590 |
| Molecular Formula | C9H11BrFN |
| Molecular Weight | 232.0927 |
| SMILES | CC(CC1=CC(Br)=C(F)C=C1)N |
| Synonyms | 1-(3-BROMO-4-FLUOROPHENYL)PROPAN-2-AMINE,
910383-85-6,
CTK6A6993,
AKOS000155421,
AKOS022489892,
MCULE-6260402063,
NE18592,
Z1436181107,
|
| 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