| CAS Number | 1355247-95-8 |
| Catalog Number | AG009WLP(AGN-PC-0WAA1G) |
| Chemical Name | 4-Bromo-2-(4-methylpiperazinomethyl)-1-fluorobenzene |
| IUPAC Name | 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperazine |
| InChI | InChI=1S/C12H16BrFN2/c1-15-4-6-16(7-5-15)9-10-8-11(13)2-3-12(10)14/h2-3,8H,4-7,9H2,1H3 |
| InChI Key | LZGKNZVKWVYDEE-UHFFFAOYSA-N |
| MDL Number | MFCD21333054 |
| Molecular Formula | C12H16BrFN2 |
| Molecular Weight | 287.1712 |
| SMILES | CN1CCN(CC1)Cc1cc(Br)ccc1F |
| Synonyms | 1355247-95-8,
4-Bromo-2-(4-methylpiperazinomethyl)-1-fluorobenzene,
1-(5-bromo-2-fluorobenzyl)-4-methylpiperazine,
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperazine,
ACMC-209c2x,
CTK8B0422,
DTXSID30742800,
ANW-19927,
MFCD21333054,
ZINC70703319,
AKOS025286496,
AM86554,
BC6220282,
TC-108672,
V2477,
C12H16BrFN2,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.176g/mol |
| Monoisotopic Mass | 286.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number