2-(4-Chlorophenyl)azepane - CAS 383129-18-8
Catalog: |
BB042997 |
Product Name: |
2-(4-Chlorophenyl)azepane |
CAS: |
383129-18-8 |
Synonyms: |
1H-Azepine,2-(4-chlorophenyl)hexahydro-; 2-(4-Chlorophenyl)azaperhydroepine; 2-(4-Chloro-phenyl)-azepane |
IUPAC Name: | 2-(4-chlorophenyl)azepane |
Description: | 2-(4-Chlorophenyl)azepane (CAS# 383129-18-8 ) is a useful research chemical. |
Molecular Weight: | 209.71 |
Molecular Formula: | C12H16ClN |
Canonical SMILES: | C1CCC(NCC1)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)12-4-2-1-3-9-14-12/h5-8,12,14H,1-4,9H2 |
InChI Key: | QVSTXCOTKAOQEW-UHFFFAOYSA-N |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0971272 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0971272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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