Home Other Building Blocks 1-(3-(trifluoromethyl)phenyl)but-3-en-1-ol

1-(3-(trifluoromethyl)phenyl)but-3-en-1-ol

CAS No.:
114095-75-9
Catalog Number:
AG01BUH9
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
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Product Description
Catalog Number:
AG01BUH9
Chemical Name:
1-(3-(trifluoromethyl)phenyl)but-3-en-1-ol
CAS Number:
114095-75-9
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
MDL Number:
MFCD14653137
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]but-3-en-1-ol
InChI:
InChI=1S/C11H11F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h2-3,5-7,10,15H,1,4H2
InChI Key:
ITTIGOPRDIDCRE-UHFFFAOYSA-N
SMILES:
C=CCC(c1cccc(c1)C(F)(F)F)O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.203g/mol
Monoisotopic Mass:
216.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties