2-Amino-α-1-pentynyl-5-chloro-α-(trifluoromethyl)-benzenemethanol - CAS 1797114-07-8
Catalog: |
BB074542 |
Product Name: |
2-Amino-α-1-pentynyl-5-chloro-α-(trifluoromethyl)-benzenemethanol |
CAS: |
1797114-07-8 |
Synonyms: |
2-(2-Amino-5-chlorophenyl)-1,1,1-trifluorohept-3-yn-2-ol; 2-Amino-alpha-1-pentynyl-5-chloro-alpha-(trifluoromethyl)-benzenemethanol; 2-Amino-|A-1-pentynyl-5-chloro-|A-(trifluoromethyl)-benzenemethanol |
IUPAC Name: | 2-(2-amino-5-chlorophenyl)-1,1,1-trifluorohept-3-yn-2-ol |
Molecular Weight: | 291.7 |
Molecular Formula: | C13H13ClF3NO |
Canonical SMILES: | CCCC#CC(C1=C(C=CC(=C1)Cl)N)(C(F)(F)F)O |
InChI: | InChI=1S/C13H13ClF3NO/c1-2-3-4-7-12(19,13(15,16)17)10-8-9(14)5-6-11(10)18/h5-6,8,19H,2-3,18H2,1H3 |
InChI Key: | OJMQFWMVICHYJA-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | White Crystalline Solid |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.0637762 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.0637762 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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