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142035-68-5 | Butanoic acid, 2-[(trifluoroacetyl)amino]-, methyl ester, (2R)-
CAS No: 142035-68-5 Catalog No: AG001HLT MDL No:
Product Description
Catalog Number:
AG001HLT
Chemical Name:
Butanoic acid, 2-[(trifluoroacetyl)amino]-, methyl ester, (2R)-
CAS Number:
142035-68-5
Molecular Formula:
C7H10F3NO3
Molecular Weight:
213.1544
IUPAC Name:
methyl 2-[(2,2,2-trifluoroacetyl)amino]butanoate
InChI:
InChI=1S/C7H10F3NO3/c1-3-4(5(12)14-2)11-6(13)7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChI Key:
AHVHLLLMJZKZGP-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](NC(=O)C(F)(F)F)CC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.156g/mol
Monoisotopic Mass:
213.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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