| CAS Number | 1019532-16-1 |
| Catalog Number | AG009423(AGN-PC-0WA4G2) |
| Chemical Name | 1-Bromo-2-fluoro-3-(cyclopentylaminomethyl)benzene |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine |
| InChI | InChI=1S/C12H15BrFN/c13-10-5-6-12(14)9(7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2 |
| InChI Key | KDJWKPKFBNUJET-UHFFFAOYSA-N |
| MDL Number | MFCD11139796 |
| Molecular Formula | C12H15BrFN |
| Molecular Weight | 272.1566 |
| SMILES | FC1=C(CNC2CCCC2)C=C(Br)C=C1 |
| Synonyms | 1019532-16-1,
N-(5-Bromo-2-fluorobenzyl)cyclopentanamine,
N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine,
KM5566,
ZINC19883310,
AKOS000227255,
Z6427,
C12H15BrFN,
1-Bromo-2-fluoro-3-(cyclopentylaminomethyl)benzene,
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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 | 271.03719g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.16g/mol |
| Monoisotopic Mass | 271.03719g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12Ų |
| 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