Home Other Building Blocks 3-[3-(trifluoromethyl)phenyl]cyclohex-2-en-1-one

3-[3-(trifluoromethyl)phenyl]cyclohex-2-en-1-one

CAS No.:
191112-25-1
Catalog Number:
AG01DW39
Molecular Formula:
C13H11F3O
Molecular Weight:
240.2210
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Product Description
Catalog Number:
AG01DW39
Chemical Name:
3-[3-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
CAS Number:
191112-25-1
Molecular Formula:
C13H11F3O
Molecular Weight:
240.2210
MDL Number:
MFCD21487957
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
InChI:
InChI=1S/C13H11F3O/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(17)8-10/h1,3,5,7-8H,2,4,6H2
InChI Key:
BYNXYUPDFQYUAY-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.076g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.225g/mol
Monoisotopic Mass:
240.076g/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