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160911-34-2 | Imidazo[1,2-b]pyridazine-3-carboxylic acid, 6-chloro-2-phenyl-
CAS No: 160911-34-2 Catalog No: AG001VHT MDL No:
Product Description
Catalog Number:
AG001VHT
Chemical Name:
Imidazo[1,2-b]pyridazine-3-carboxylic acid, 6-chloro-2-phenyl-
CAS Number:
160911-34-2
Molecular Formula:
C13H8ClN3O2
Molecular Weight:
273.6745
IUPAC Name:
6-chloro-2-phenylimidazo[1,2-b]pyridazine-3-carboxylic acid
InChI:
InChI=1S/C13H8ClN3O2/c14-9-6-7-10-15-11(8-4-2-1-3-5-8)12(13(18)19)17(10)16-9/h1-7H,(H,18,19)
InChI Key:
ONMSYWVAOQYZEG-UHFFFAOYSA-N
SMILES:
Clc1ccc2n(n1)c(C(=O)O)c(n2)c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.676g/mol
Monoisotopic Mass:
273.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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