Home Other Building Blocks 1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one

1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one

CAS No.:
704889-22-5
Catalog Number:
AG01BRNZ
Molecular Formula:
C10H5F3O
Molecular Weight:
198.1413
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Product Description
Catalog Number:
AG01BRNZ
Chemical Name:
1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one
CAS Number:
704889-22-5
Molecular Formula:
C10H5F3O
Molecular Weight:
198.1413
MDL Number:
MFCD30535827
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one
InChI:
InChI=1S/C10H5F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h1,3-6H
InChI Key:
QSXRYBNIYICXDZ-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.029g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.144g/mol
Monoisotopic Mass:
198.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties