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Home > Bromides > 1197238-77-9
1197238-77-9 | 2-(4-Bromo-phenyl)-8-methyl-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine oxalic acid salt
CAS No: 1197238-77-9 Catalog No: AG01F2CI MDL No:
Product Description
Catalog Number:
AG01F2CI
Chemical Name:
2-(4-Bromo-phenyl)-8-methyl-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine oxalic acid salt
CAS Number:
1197238-77-9
Molecular Formula:
C21H23BrN4O4
Molecular Weight:
475.3357
IUPAC Name:
2-(4-bromophenyl)-8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine;oxalic acid
InChI:
InChI=1S/C19H21BrN4.C2H2O4/c1-14-3-2-10-24-17(13-23-11-8-21-9-12-23)18(22-19(14)24)15-4-6-16(20)7-5-15;3-1(4)2(5)6/h2-7,10,21H,8-9,11-13H2,1H3;(H,3,4)(H,5,6)
InChI Key:
QIQHCHOMLFEZAG-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Brc1ccc(cc1)c1nc2n(c1CN1CCNCC1)cccc2C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.09g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
475.343g/mol
Monoisotopic Mass:
474.09g/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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