| CAS Number | 1355247-01-6 |
| Catalog Number | AG009X37(AGN-PC-0WA4G1) |
| Chemical Name | 1-Bromo-2-fluoro-3-(butylaminomethyl)benzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]butan-1-amine |
| InChI | InChI=1S/C11H15BrFN/c1-2-3-7-14-8-9-5-4-6-10(12)11(9)13/h4-6,14H,2-3,7-8H2,1H3 |
| InChI Key | YLMDQNXJXCJJES-UHFFFAOYSA-N |
| MDL Number | MFCD21333086 |
| Molecular Formula | C11H15BrFN |
| Molecular Weight | 260.1459 |
| SMILES | CCCCNCc1cccc(c1F)Br |
| Synonyms | 1-Bromo-2-fluoro-3-(butylaminomethyl)benzene,
1355247-01-6,
N-[(3-bromo-2-fluorophenyl)methyl]butan-1-amine,
ACMC-209c18,
CTK8B0362,
DTXSID80742739,
ANW-19866,
MFCD21333086,
ZINC85476846,
TC-108611,
Z9951,
C11H15BrFN,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.15g/mol |
| Monoisotopic Mass | 259.037g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number