| CAS Number | 1094257-47-2 |
| Catalog Number | AG0082FZ(AGN-PC-0WAEOS) |
| Chemical Name | N-Propyl 4-bromo-2-fluorobenzylamine |
| IUPAC Name | N-[(4-bromo-2-fluorophenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C10H13BrFN/c1-2-5-13-7-8-3-4-9(11)6-10(8)12/h3-4,6,13H,2,5,7H2,1H3 |
| InChI Key | SVZHLSQGBDVFBR-UHFFFAOYSA-N |
| MDL Number | MFCD11204722 |
| Molecular Formula | C10H13BrFN |
| Molecular Weight | 246.1193 |
| SMILES | CCCNCc1ccc(cc1F)Br |
| Synonyms | N-Propyl 4-bromo-2-fluorobenzylamine,
1094257-47-2,
N-(4-Bromo-2-fluorobenzyl)propan-1-amine,
CTK8A9204,
DTXSID70655400,
ACMC-209931,
ANW-16043,
MFCD11204722,
ZINC36923315,
AKOS008989670,
TC-104788,
Z7264,
B-8994,
N-[(4-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 |
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Certificate of Analysis
Lot Number