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145513-97-9 | Benzeneacetic acid, α-[(2,2,2-trifluoroacetyl)amino]-, methyl ester, (αS)-
CAS No: 145513-97-9 Catalog No: AG001D4R MDL No:
Product Description
Catalog Number:
AG001D4R
Chemical Name:
Benzeneacetic acid, α-[(2,2,2-trifluoroacetyl)amino]-, methyl ester, (αS)-
CAS Number:
145513-97-9
Molecular Formula:
C11H10F3NO3
Molecular Weight:
261.1972
IUPAC Name:
methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate
InChI:
InChI=1S/C11H10F3NO3/c1-18-9(16)8(7-5-3-2-4-6-7)15-10(17)11(12,13)14/h2-6,8H,1H3,(H,15,17)/t8-/m0/s1
InChI Key:
UZPZHEHQDFPRST-QMMMGPOBSA-N
SMILES:
COC(=O)[C@H](c1ccccc1)NC(=O)C(F)(F)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.2g/mol
Monoisotopic Mass:
261.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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