1-[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanone - CAS 351039-34-4
Catalog: |
BB065348 |
Product Name: |
1-[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanone |
CAS: |
351039-34-4 |
Synonyms: |
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanone; 1-(3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)ethanone; 1-[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]-ethanone; 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethan-1-one; 1-(3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)ethan-1-one |
IUPAC Name: | 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanone |
Molecular Weight: | 236.29 |
Molecular Formula: | C13H17FN2O |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)F |
InChI: | InChI=1S/C13H17FN2O/c1-10(17)11-3-4-13(12(14)9-11)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3 |
InChI Key: | BBYNFAWFUDRNLV-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.13249133 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.13249133 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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