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Home > Fluorides > 1197226-82-6
1197226-82-6 | 2-(4-Fluoro-phenyl)-pyrrolidine oxalic acid salt
CAS No: 1197226-82-6 Catalog No: AG01F2EB MDL No:
Product Description
Catalog Number:
AG01F2EB
Chemical Name:
2-(4-Fluoro-phenyl)-pyrrolidine oxalic acid salt
CAS Number:
1197226-82-6
Molecular Formula:
C12H14FNO4
Molecular Weight:
255.2423
IUPAC Name:
2-(4-fluorophenyl)pyrrolidine;oxalic acid
InChI:
InChI=1S/C10H12FN.C2H2O4/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;3-1(4)2(5)6/h3-6,10,12H,1-2,7H2;(H,3,4)(H,5,6)
InChI Key:
FAZIBKCEYZGCEG-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Fc1ccc(cc1)C1CCCN1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.245g/mol
Monoisotopic Mass:
255.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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