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Boc-2-(trifluoromethyl)-L-phenylalanine

CAS No.:
167993-21-7
Catalog Number:
AG001XQ9
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$60
- +
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$538
- +
25g
98%
In Stock USA
United States
$2250
- +
Product Description
Catalog Number:
AG001XQ9
Chemical Name:
Boc-2-(trifluoromethyl)-L-phenylalanine
CAS Number:
167993-21-7
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
MDL Number:
MFCD01862946
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-6-4-5-7-10(9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChI Key:
XKMOOODKNPYTEE-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccccc1C(F)(F)F
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.119g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
333.307g/mol
Monoisotopic Mass:
333.119g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties