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Home > Fluorides > 159028-51-0
159028-51-0 | Benzenemethanol, α-ethynyl-4-fluoro-α-methyl-
CAS No: 159028-51-0 Catalog No: AG001QEW MDL No:
Product Description
Catalog Number:
AG001QEW
Chemical Name:
Benzenemethanol, α-ethynyl-4-fluoro-α-methyl-
CAS Number:
159028-51-0
Molecular Formula:
C10H9FO
Molecular Weight:
164.1763
IUPAC Name:
2-(4-fluorophenyl)but-3-yn-2-ol
InChI:
InChI=1S/C10H9FO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h1,4-7,12H,2H3
InChI Key:
JEHIMMYBAYPVHN-UHFFFAOYSA-N
SMILES:
C#CC(c1ccc(cc1)F)(O)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.179g/mol
Monoisotopic Mass:
164.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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