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1630906-50-1 | 1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, sodium salt (1:1)
CAS No: 1630906-50-1 Catalog No: AG001TP3 MDL No:MFCD28155131
Product Description
Catalog Number:
AG001TP3
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, sodium salt (1:1)
CAS Number:
1630906-50-1
Molecular Formula:
C6H2ClN4NaO2
Molecular Weight:
220.5484
MDL Number:
MFCD28155131
IUPAC Name:
sodium;6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate
InChI:
InChI=1S/C6H3ClN4O2.Na/c7-3-1-2-4-8-9-5(6(12)13)11(4)10-3;/h1-2H,(H,12,13);/q;+1/p-1
InChI Key:
WNMOGTVHNVQMSJ-UHFFFAOYSA-M
SMILES:
Clc1ccc2n(n1)c(nn2)C(=O)[O-].[Na+]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.548g/mol
Monoisotopic Mass:
219.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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