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Home > Fluorides > 1391463-17-4
1391463-17-4 | (R);-2-(3-Fluorophenyl);pyrrolidine L-Tartrate
CAS No: 1391463-17-4 Catalog No: AG001AEE MDL No:MFCD16883079
Product Description
Catalog Number:
AG001AEE
Chemical Name:
(R);-2-(3-Fluorophenyl);pyrrolidine L-Tartrate
CAS Number:
1391463-17-4
Molecular Formula:
C14H18FNO6
Molecular Weight:
315.2942
MDL Number:
MFCD16883079
IUPAC Name:
(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-2-(3-fluorophenyl)pyrrolidine
InChI:
InChI=1S/C10H12FN.C4H6O6/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;5-1(3(7)8)2(6)4(9)10/h1,3-4,7,10,12H,2,5-6H2;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m11/s1
InChI Key:
LPQAIJHTOIUGNX-PRCBPEIBSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)O)O.Fc1cccc(c1)[C@H]1CCCN1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
315.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
315.297g/mol
Monoisotopic Mass:
315.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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