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Home > Fluorides > 291763-97-8
291763-97-8 | L-Proline, 5-oxo-3-[4-(trifluoromethyl)phenyl]-, (3R)-
CAS No: 291763-97-8 Catalog No: AG002XLD MDL No:
Product Description
Catalog Number:
AG002XLD
Chemical Name:
L-Proline, 5-oxo-3-[4-(trifluoromethyl)phenyl]-, (3R)-
CAS Number:
291763-97-8
Molecular Formula:
C12H10F3NO3
Molecular Weight:
273.2079
IUPAC Name:
(2S,3R)-5-oxo-3-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H10F3NO3/c13-12(14,15)7-3-1-6(2-4-7)8-5-9(17)16-10(8)11(18)19/h1-4,8,10H,5H2,(H,16,17)(H,18,19)/t8-,10+/m1/s1
InChI Key:
PGVPEVFNYCOEBE-SCZZXKLOSA-N
SMILES:
O=C1N[C@@H]([C@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
273.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.211g/mol
Monoisotopic Mass:
273.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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