1-[2-(2,2-Difluoroethoxy)phenyl]methanamine hydrochloride - CAS 1431969-92-4
Catalog: |
BB051737 |
Product Name: |
1-[2-(2,2-Difluoroethoxy)phenyl]methanamine hydrochloride |
CAS: |
1431969-92-4 |
Synonyms: |
1-[2-(2,2-difluoroethoxy)phenyl]methanamine |
IUPAC Name: | [2-(2,2-difluoroethoxy)phenyl]methanamine;hydrochloride |
Molecular Weight: | 223.65 |
Molecular Formula: | C9H12ClF2NO |
Canonical SMILES: | C1=CC=C(C(=C1)CN)OCC(F)F.Cl |
InChI: | InChI=1S/C9H11F2NO.ClH/c10-9(11)6-13-8-4-2-1-3-7(8)5-12;/h1-4,9H,5-6,12H2;1H |
InChI Key: | NYGQBCXIGQTLSU-UHFFFAOYSA-N |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0808703 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0808703 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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