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Home > Fluorides > 156301-63-2
156301-63-2 | 3-Butyn-2-ol, 2-methyl-4-[4-(trifluoromethyl)phenyl]-
CAS No: 156301-63-2 Catalog No: AG001ONR MDL No:
Product Description
Catalog Number:
AG001ONR
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-[4-(trifluoromethyl)phenyl]-
CAS Number:
156301-63-2
Molecular Formula:
C12H11F3O
Molecular Weight:
228.2103
IUPAC Name:
2-methyl-4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol
InChI:
InChI=1S/C12H11F3O/c1-11(2,16)8-7-9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,1-2H3
InChI Key:
OKTRUYSUCGJWKY-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccc(cc1)C(F)(F)F)(O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.214g/mol
Monoisotopic Mass:
228.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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