Home Other Building Blocks 2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one

2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one

CAS No.:
1274529-76-8
Catalog Number:
AG01A43Q
Molecular Formula:
C14H15F3O
Molecular Weight:
256.2635
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Product Description
Catalog Number:
AG01A43Q
Chemical Name:
2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
CAS Number:
1274529-76-8
Molecular Formula:
C14H15F3O
Molecular Weight:
256.2635
MDL Number:
MFCD11870691
IUPAC Name:
2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
InChI:
InChI=1S/C14H15F3O/c15-14(16,17)12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)18/h4-6,8,11H,1-3,7,9H2
InChI Key:
YUIHJPYYFBBRIC-UHFFFAOYSA-N
SMILES:
O=C1CCCCCC1c1ccccc1C(F)(F)F
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.107g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.268g/mol
Monoisotopic Mass:
256.107g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties