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23635-30-5

23635-30-5 | L-Phenylalanine, N-(2,2,2-trifluoroacetyl)-, methyl ester

CAS No: 23635-30-5 Catalog No: AG002NZ9 MDL No:

Product Description

Catalog Number:
AG002NZ9
Chemical Name:
L-Phenylalanine, N-(2,2,2-trifluoroacetyl)-, methyl ester
CAS Number:
23635-30-5
Molecular Formula:
C12H12F3NO3
Molecular Weight:
275.2238
IUPAC Name:
methyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
InChI:
InChI=1S/C12H12F3NO3/c1-19-10(17)9(16-11(18)12(13,14)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,16,18)/t9-/m0/s1
InChI Key:
ZYMGRJXIRUWDLX-VIFPVBQESA-N
SMILES:
COC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
275.077g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.227g/mol
Monoisotopic Mass:
275.077g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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