2-(3-fluorophenyl)azepane - CAS 383130-06-1
Catalog: |
BB053581 |
Product Name: |
2-(3-fluorophenyl)azepane |
CAS: |
383130-06-1 |
Synonyms: |
1H-Azepine, 2-(3-fluorophenyl)hexahydro-; 2-(3-fluorophenyl)azaperhydroepine |
IUPAC Name: | 2-(3-fluorophenyl)azepane |
Molecular Weight: | 193.26 |
Molecular Formula: | C12H16FN |
Canonical SMILES: | C1CCC(NCC1)C2=CC(=CC=C2)F |
InChI: | InChI=1S/C12H16FN/c13-11-6-4-5-10(9-11)12-7-2-1-3-8-14-12/h4-6,9,12,14H,1-3,7-8H2 |
InChI Key: | FKCWIPFGJXWSCL-UHFFFAOYSA-N |
Boiling Point: | 272.8±33.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.126677677 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.126677677 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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