2-[3,5-Bis(trifluoromethyl)phenyl]azetidine Hydrochloride - CAS 1346603-76-6
Catalog: |
BB072607 |
Product Name: |
2-[3,5-Bis(trifluoromethyl)phenyl]azetidine Hydrochloride |
CAS: |
1346603-76-6 |
Synonyms: |
2-[3,5-Bis(trifluoromethyl)phenyl]azetidine Hydrochloride; 2-[3,5-bis(trifluoromethyl)phenyl]azetidine; hydrochloride; 2-(3,5-Bis(trifluoromethyl)phenyl)azetidine hydrochloride |
IUPAC Name: | 2-[3,5-bis(trifluoromethyl)phenyl]azetidinehydrochloride |
Description: | A 2-aryl substituted Azetidine (A813000) derivative. |
Molecular Weight: | 305.65 |
Molecular Formula: | C11H10ClF6N |
Canonical SMILES: | C1CNC1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.Cl |
InChI: | InChI=1S/C11H9F6N.ClH/c12-10(13,14)7-3-6(9-1-2-18-9)4-8(5-7)11(15,16)17/h3-5,9,18H,1-2H21H |
InChI Key: | XRPGJJVPPPAYAW-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.040596 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.040596 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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