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181128-25-6 | Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4,4-trifluoro-, (2S)-
CAS No: 181128-25-6 Catalog No: AG0022OY MDL No:MFCD08532484
Product Description
Catalog Number:
AG0022OY
Chemical Name:
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4,4-trifluoro-, (2S)-
CAS Number:
181128-25-6
Molecular Formula:
C9H14F3NO4
Molecular Weight:
257.2070
MDL Number:
MFCD08532484
IUPAC Name:
(2S)-4,4,4-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(6(14)15)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m0/s1
InChI Key:
UCUKFQMRNHNNQY-YFKPBYRVSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CC(F)(F)F
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.209g/mol
Monoisotopic Mass:
257.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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