2-Amino-5-chloro-a-(cyclopropylethynyl)-4-isopropylsilyloxy-a-(trifluoromethyl)benzenemethanol - CAS 1159977-02-2
Catalog: |
BB061326 |
Product Name: |
2-Amino-5-chloro-a-(cyclopropylethynyl)-4-isopropylsilyloxy-a-(trifluoromethyl)benzenemethanol |
CAS: |
1159977-02-2 |
Synonyms: |
2-Amino-5-chloro-α-(2-cyclopropylethynyl)-4-isopropylsilyloxy-α-(trifluoromethyl)benzenemethanol |
IUPAC Name: | 2-[2-amino-5-chloro-4-tri(propan-2-yl)silyloxyphenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol |
Description: | 2-Amino-5-chloro-a-(cyclopropylethynyl)-4-isopropylsilyloxy-a-(trifluoromethyl)benzenemethanol (cas# 1159977-02-2) is a compound useful in organic synthesis. |
Molecular Weight: | 462.02 |
Molecular Formula: | C22H31ClF3NO2Si |
Canonical SMILES: | CC(C)[Si](C(C)C)(C(C)C)OC1=C(C=C(C(=C1)N)C(C#CC2CC2)(C(F)(F)F)O)Cl |
InChI: | InChI=1S/C22H31ClF3NO2Si/c1-13(2)30(14(3)4,15(5)6)29-20-12-19(27)17(11-18(20)23)21(28,22(24,25)26)10-9-16-7-8-16/h11-16,28H,7-8,27H2,1-6H3 |
InChI Key: | ANQURARMFOGDLJ-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Brown Solid |
Complexity: | 647 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 461.1764679 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 461.1764679 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 55.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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