1-[4-(2-Fluorophenoxy)phenyl]methanamine hydrochloride - CAS 1185097-04-4
Catalog: |
BB051375 |
Product Name: |
1-[4-(2-Fluorophenoxy)phenyl]methanamine hydrochloride |
CAS: |
1185097-04-4 |
Synonyms: |
4-(2-fluorophenyloxy)benzylamine hydrochloride; Benzenemethanamine, 4-(2-fluorophenoxy)-, hydrochloride (1:1) |
Related CAS: | 864263-02-5 (free base)
|
IUPAC Name: | [4-(2-fluorophenoxy)phenyl]methanamine;hydrochloride |
Molecular Weight: | 253.70 |
Molecular Formula: | C13H13ClFNO |
Canonical SMILES: | C1=CC=C(C(=C1)OC2=CC=C(C=C2)CN)F.Cl |
InChI: | InChI=1S/C13H12FNO.ClH/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11;/h1-8H,9,15H2;1H |
InChI Key: | UAVNKDWWNKCDSY-UHFFFAOYSA-N |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.090292168 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.090292168 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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