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1313710-29-0 | 1-Pyrrolidinecarboxylic acid, 2-[(2-fluorophenyl)methyl]-3,5-dioxo-, 1,1-dimethylethyl ester, (2R)-
CAS No: 1313710-29-0 Catalog No: AG000W0N MDL No:
Product Description
Catalog Number:
AG000W0N
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[(2-fluorophenyl)methyl]-3,5-dioxo-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
1313710-29-0
Molecular Formula:
C16H18FNO4
Molecular Weight:
307.3168
IUPAC Name:
tert-butyl (2S)-2-[(2-fluorophenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrole-1-carboxylate
InChI:
InChI=1S/C16H18FNO4/c1-16(2,3)22-15(21)18-12(13(19)9-14(18)20)8-10-6-4-5-7-11(10)17/h4-7,9,12,19H,8H2,1-3H3/t12-/m0/s1
InChI Key:
PMKRCJVZCGPUAX-LBPRGKRZSA-N
SMILES:
O=C1CC(=O)N([C@@H]1Cc1ccccc1F)C(=O)OC(C)(C)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
307.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.321g/mol
Monoisotopic Mass:
307.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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