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Home > Fluorides > 824413-77-6
824413-77-6 | 2-(4-Fluoro-phenyl)-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine oxalic acid salt
CAS No: 824413-77-6 Catalog No: AG01EXJX MDL No:
Product Description
Catalog Number:
AG01EXJX
Chemical Name:
2-(4-Fluoro-phenyl)-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine oxalic acid salt
CAS Number:
824413-77-6
Molecular Formula:
C20H21FN4O4
Molecular Weight:
400.4035
IUPAC Name:
2-(4-fluorophenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine;oxalic acid
InChI:
InChI=1S/C18H19FN4.C2H2O4/c19-15-6-4-14(5-7-15)18-16(13-22-11-8-20-9-12-22)23-10-2-1-3-17(23)21-18;3-1(4)2(5)6/h1-7,10,20H,8-9,11-13H2;(H,3,4)(H,5,6)
InChI Key:
VVXXWESRUOOVMZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Fc1ccc(cc1)c1nc2n(c1CN1CCNCC1)cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.155g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.41g/mol
Monoisotopic Mass:
400.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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