| CAS Number | 1355248-01-9 |
| Catalog Number | AG009WKK |
| Chemical Name | 1-Bromo-2-fluoro-3-(cyclopentylaminomethyl)benzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]cyclopentanamine |
| InChI | InChI=1S/C12H15BrFN/c13-11-7-3-4-9(12(11)14)8-15-10-5-1-2-6-10/h3-4,7,10,15H,1-2,5-6,8H2 |
| InChI Key | NOGCVTOHKLXGNX-UHFFFAOYSA-N |
| MDL Number | MFCD21333079 |
| Molecular Formula | C12H15BrFN |
| Molecular Weight | 272.1566 |
| SMILES | Fc1c(CNC2CCCC2)cccc1Br |
| Synonyms | 1-Bromo-2-fluoro-3-(cyclopentylaminomethyl)benzene,
1355248-01-9,
ACMC-2097xo,
N-[(3-bromo-2-fluorophenyl)methyl]cyclopentanamine,
CTK8A9013,
DTXSID10742661,
ANW-14554,
MFCD21333079,
ZINC85471723,
TC-103299,
V2482,
C12H15BrFN,
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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