Home Other Building Blocks 3-(4-(trifluoromethoxy)phenyl)prop-2-yn-1-ol

3-(4-(trifluoromethoxy)phenyl)prop-2-yn-1-ol

CAS No.:
893642-04-1
Catalog Number:
AG01DK2K
Molecular Formula:
C10H7F3O2
Molecular Weight:
216.1566
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Product Description
Catalog Number:
AG01DK2K
Chemical Name:
3-(4-(trifluoromethoxy)phenyl)prop-2-yn-1-ol
CAS Number:
893642-04-1
Molecular Formula:
C10H7F3O2
Molecular Weight:
216.1566
MDL Number:
MFCD08701795
IUPAC Name:
3-[4-(trifluoromethoxy)phenyl]prop-2-yn-1-ol
InChI:
InChI=1S/C10H7F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6,14H,7H2
InChI Key:
RDYJYARNAPGOHK-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.159g/mol
Monoisotopic Mass:
216.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties