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1463-21-4 | L-Valine, N-(2,2,2-trifluoroacetyl)-, methyl ester
CAS No: 1463-21-4 Catalog No: AG001DVR MDL No:
Product Description
Catalog Number:
AG001DVR
Chemical Name:
L-Valine, N-(2,2,2-trifluoroacetyl)-, methyl ester
CAS Number:
1463-21-4
Molecular Formula:
C8H12F3NO3
Molecular Weight:
227.1810
IUPAC Name:
methyl (2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
InChI:
InChI=1S/C8H12F3NO3/c1-4(2)5(6(13)15-3)12-7(14)8(9,10)11/h4-5H,1-3H3,(H,12,14)/t5-/m0/s1
InChI Key:
KCASHPNYDVOBJR-YFKPBYRVSA-N
SMILES:
COC(=O)[C@H](C(C)C)NC(=O)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.183g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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