| CAS Number | 827328-91-6 |
| Catalog Number | AG004ZQ2(AGN-PC-0WAEIZ) |
| Chemical Name | N-Cyclopentyl 2-bromo-6-fluorobenzylamine |
| IUPAC Name | N-[(2-bromo-6-fluorophenyl)methyl]cyclopentanamine |
| InChI | InChI=1S/C12H15BrFN/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2 |
| InChI Key | OTAMSXHRNBWMKN-UHFFFAOYSA-N |
| MDL Number | MFCD21333050 |
| Molecular Formula | C12H15BrFN |
| Molecular Weight | 272.1566 |
| SMILES | Fc1cccc(c1CNC1CCCC1)Br |
| Synonyms | N-Cyclopentyl 2-bromo-6-fluorobenzylamine,
827328-91-6,
AC1NMGLK,
ACMC-209pq3,
CTK8B2373,
DTXSID50407489,
ANW-37609,
MFCD21333050,
STK137754,
ZINC27909358,
N-(2-bromo-6-fluorobenzyl)cyclopentanamine,
TC-126354,
V7892,
B-8993,
N-[(2-bromo-6-fluorophenyl)methyl]cyclopentanamine,
C12H15BrFN,
CID5009673,
N-[(2-bromo-6-fluoro-phenyl)methyl]cyclopentanamine,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.161g/mol |
| Monoisotopic Mass | 271.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number