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1256482-54-8

1256482-54-8 | 2,2,2-Trifluoro-1-(4-n-heptylphenyl)ethanone

CAS No: 1256482-54-8 Catalog No: AG01FALO MDL No:

Product Description

Catalog Number:
AG01FALO
Chemical Name:
2,2,2-Trifluoro-1-(4-n-heptylphenyl)ethanone
CAS Number:
1256482-54-8
Molecular Formula:
C15H19F3O
Molecular Weight:
272.3060
IUPAC Name:
2,2,2-trifluoro-1-(4-heptylphenyl)ethanone
InChI:
InChI=1S/C15H19F3O/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(19)15(16,17)18/h8-11H,2-7H2,1H3
InChI Key:
MCMMZRGZRCFDIM-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)C(F)(F)F

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.139g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.311g/mol
Monoisotopic Mass:
272.139g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

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