Home Other Building Blocks neopentyl 4-(trifluoromethyl)benzoate

neopentyl 4-(trifluoromethyl)benzoate

CAS No.:
204779-82-8
Catalog Number:
AG01DI00
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
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Product Description
Catalog Number:
AG01DI00
Chemical Name:
neopentyl 4-(trifluoromethyl)benzoate
CAS Number:
204779-82-8
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
MDL Number:
MFCD28976796
IUPAC Name:
2,2-dimethylpropyl 4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C13H15F3O2/c1-12(2,3)8-18-11(17)9-4-6-10(7-5-9)13(14,15)16/h4-7H,8H2,1-3H3
InChI Key:
MWLUXIMHLPCFRZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)OCC(C)(C)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties