Home Other Building Blocks 2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-one

2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-one

CAS No.:
620606-49-7
Catalog Number:
AG01BS8T
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
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Product Description
Catalog Number:
AG01BS8T
Chemical Name:
2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-one
CAS Number:
620606-49-7
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
MDL Number:
MFCD22371836
IUPAC Name:
2-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C11H9F3O/c12-11(13,14)9-6-5-7-3-1-2-4-8(7)10(9)15/h1-4,9H,5-6H2
InChI Key:
CBDOEEPTRHUPCK-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2CCC1C(F)(F)F
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.187g/mol
Monoisotopic Mass:
214.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties