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tert-Butyl 4-(2-formyl-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate

CAS No.:
626219-95-2
Catalog Number:
AG00EBOE
Molecular Formula:
C17H21F3N2O3
Molecular Weight:
358.3554
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$125
- +
1g
96%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG00EBOE
Chemical Name:
tert-Butyl 4-(2-formyl-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate
CAS Number:
626219-95-2
Molecular Formula:
C17H21F3N2O3
Molecular Weight:
358.3554
MDL Number:
MFCD17214275
IUPAC Name:
tert-butyl 4-[2-formyl-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H21F3N2O3/c1-16(2,3)25-15(24)22-8-6-21(7-9-22)14-5-4-13(17(18,19)20)10-12(14)11-23/h4-5,10-11H,6-9H2,1-3H3
InChI Key:
SHMBSPFQSGKEQE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1N1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
Properties
Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.15g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.361g/mol
Monoisotopic Mass:
358.15g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties