| CAS Number | 1016496-17-5 |
| Catalog Number | AG000516(AGN-PC-0WAA0W) |
| Chemical Name | 4-Bromo-1-fluoro-2-(propylaminomethyl)benzene |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C10H13BrFN/c1-2-5-13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3 |
| InChI Key | WFBLDEADLRETSL-UHFFFAOYSA-N |
| MDL Number | MFCD09927562 |
| Molecular Formula | C10H13BrFN |
| Molecular Weight | 246.1193 |
| SMILES | CCCNCC1=C(F)C=CC(Br)=C1 |
| Synonyms | 4-Bromo-1-fluoro-2-(propylaminomethyl)benzene,
1016496-17-5,
ACMC-2097w5,
SCHEMBL13535945,
CTK8A9000,
DTXSID60640724,
ANW-14499,
MFCD09927562,
ZINC19422239,
AKOS000167706,
TC-103244,
Z6368,
Benzenemethanamine, 5-bromo-2-fluoro-N-propyl-,
N-[(5-bromo-2-fluorophenyl)methyl]propan-1-amine,
C10H13BrFN,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.123g/mol |
| Monoisotopic Mass | 245.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number