2-(5-Chloro-2-methoxyphenyl)azepane - CAS 383129-64-4
Catalog: |
BB070316 |
Product Name: |
2-(5-Chloro-2-methoxyphenyl)azepane |
CAS: |
383129-64-4 |
Synonyms: |
2-(5-chloro-2-methoxyphenyl)azepane; 2-(2-azepanyl)-4-chlorophenyl methyl ether; 2-(5-Chloro-2-methoxyphenyl)hexahydro-1H-azepine |
IUPAC Name: | 2-(5-chloro-2-methoxyphenyl)azepane |
Description: | 2-(5-Chloro-2-methoxyphenyl)azepane |
Molecular Weight: | 239.74 |
Molecular Formula: | C13H18ClNO |
Canonical SMILES: | COC1=C(C=C(C=C1)Cl)C2CCCCCN2 |
InChI: | InChI=1S/C13H18ClNO/c1-16-13-7-6-10(14)9-11(13)12-5-3-2-4-8-15-12/h6-7,9,12,15H,2-5,8H2,1H3 |
InChI Key: | ORNGGIPWYFRDGN-UHFFFAOYSA-N |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.1076919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 21.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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