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1217832-93-3 | 1,2-Pyrrolidinedicarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1217832-93-3 Catalog No: AG0015ZK MDL No:MFCD06796800
Product Description
Catalog Number:
AG0015ZK
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1217832-93-3
Molecular Formula:
C18H21F3NO4-
Molecular Weight:
372.3588
MDL Number:
MFCD06796800
IUPAC Name:
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H22F3NO4/c1-16(2,3)26-15(25)22-9-5-8-17(22,14(23)24)11-12-6-4-7-13(10-12)18(19,20)21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,23,24)/t17-/m0/s1
InChI Key:
WXGUGSIKOXDJSI-KRWDZBQOSA-N
SMILES:
O=C(N1CCC[C@]1(Cc1cccc(c1)C(F)(F)F)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
373.15g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.372g/mol
Monoisotopic Mass:
373.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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