3-[(2S,3R)-1-(4-Chlorophenyl)-3-hydroxy-2-butyl]benzonitrile - CAS 941280-53-1
Catalog: |
BB041198 |
Product Name: |
3-[(2S,3R)-1-(4-Chlorophenyl)-3-hydroxy-2-butyl]benzonitrile |
CAS: |
941280-53-1 |
Synonyms: |
3-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxybutan-2-yl]benzonitrile; 3-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxybutan-2-yl]benzonitrile |
IUPAC Name: | 3-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxybutan-2-yl]benzonitrile |
Description: | 3-[(2S,3R)-1-(4-Chlorophenyl)-3-hydroxy-2-butyl]benzonitrile (CAS# 941280-53-1 ) is a useful research chemical. |
Molecular Weight: | 285.77 |
Molecular Formula: | C17H16ClNO |
Canonical SMILES: | CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)O |
InChI: | InChI=1S/C17H16ClNO/c1-12(20)17(10-13-5-7-16(18)8-6-13)15-4-2-3-14(9-15)11-19/h2-9,12,17,20H,10H2,1H3/t12-,17-/m1/s1 |
InChI Key: | ZZKVEFYFXLIAQY-SJKOYZFVSA-N |
LogP: | 3.91878 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.0920418 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.0920418 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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