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1690176-75-0 | Imidazo[1,2-b]pyridazine-2-carboxylic acid, 6-chloro-8-(1,1-dimethylethyl)-, methyl ester
CAS No: 1690176-75-0 Catalog No: AG001YFD MDL No:
Product Description
Catalog Number:
AG001YFD
Chemical Name:
Imidazo[1,2-b]pyridazine-2-carboxylic acid, 6-chloro-8-(1,1-dimethylethyl)-, methyl ester
CAS Number:
1690176-75-0
Molecular Formula:
C12H14ClN3O2
Molecular Weight:
267.7115
IUPAC Name:
methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
InChI:
InChI=1S/C12H14ClN3O2/c1-12(2,3)7-5-9(13)15-16-6-8(11(17)18-4)14-10(7)16/h5-6H,1-4H3
InChI Key:
IUYKWCFRPDFUQU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn2c(n1)c(cc(n2)Cl)C(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.713g/mol
Monoisotopic Mass:
267.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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