Home Other Building Blocks 3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-one

3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-one

CAS No.:
104483-68-3
Catalog Number:
AG01BBEI
Molecular Formula:
C13H15F3O
Molecular Weight:
244.2528
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Product Description
Catalog Number:
AG01BBEI
Chemical Name:
3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-one
CAS Number:
104483-68-3
Molecular Formula:
C13H15F3O
Molecular Weight:
244.2528
MDL Number:
MFCD19118496
IUPAC Name:
3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-one
InChI:
InChI=1S/C13H15F3O/c1-12(2,3)11(17)8-9-6-4-5-7-10(9)13(14,15)16/h4-7H,8H2,1-3H3
InChI Key:
YJUGHFICDPXBOW-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Cc1ccccc1C(F)(F)F
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.107g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.257g/mol
Monoisotopic Mass:
244.107g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties