1-Ethyl-4-(4-fluoro-2-nitrophenyl)piperazine - CAS 1285896-76-5
Catalog: |
BB065702 |
Product Name: |
1-Ethyl-4-(4-fluoro-2-nitrophenyl)piperazine |
CAS: |
1285896-76-5 |
Synonyms: |
1-ethyl-4-(4-fluoro-2-nitrophenyl)piperazine |
IUPAC Name: | 1-ethyl-4-(4-fluoro-2-nitrophenyl)piperazine |
Description: | 1-Ethyl-4-(4-fluoro-2-nitrophenyl)piperazine |
Molecular Weight: | 253.27 |
Molecular Formula: | C12H16FN3O2 |
Canonical SMILES: | CCN1CCN(CC1)C2=C(C=C(C=C2)F)[N+](=O)[O-] |
InChI: | InChI=1S/C12H16FN3O2/c1-2-14-5-7-15(8-6-14)11-4-3-10(13)9-12(11)16(17)18/h3-4,9H,2,5-8H2,1H3 |
InChI Key: | IWKXGRRMWASTNC-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.12265492 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.12265492 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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