| CAS Number | 1019568-30-9 |
| Catalog Number | AG000629(AGN-PC-0WAA1I) |
| Chemical Name | 4-Bromo-2-(cyclohexylaminomethyl)-1-fluorobenzene |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]cyclohexanamine |
| InChI | InChI=1S/C13H17BrFN/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h6-8,12,16H,1-5,9H2 |
| InChI Key | MMKZQIJUUVSQAS-UHFFFAOYSA-N |
| MDL Number | MFCD11138548 |
| Molecular Formula | C13H17BrFN |
| Molecular Weight | 286.1832 |
| SMILES | Fc1ccc(cc1CNC1CCCCC1)Br |
| Synonyms | 4-Bromo-2-(cyclohexylaminomethyl)-1-fluorobenzene,
1019568-30-9,
ACMC-2097xq,
CTK8A9015,
DTXSID20651437,
ANW-14556,
MFCD11138548,
ZINC19878846,
AKOS000222991,
TC-103301,
Z6429,
K-0267,
N-[(5-bromo-2-fluorophenyl)methyl]cyclohexanamine,
Benzenemethanamine, 5-bromo-N-cyclohexyl-2-fluoro-,
C13H17BrFN,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.188g/mol |
| Monoisotopic Mass | 285.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number