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1234616-07-9 | Imidazo[1,2-b]pyridazine-6-carboxylic acid, 3-bromo-, methyl ester
CAS No: 1234616-07-9 Catalog No: AG000KMV MDL No:MFCD17016077
Product Description
Catalog Number:
AG000KMV
Chemical Name:
Imidazo[1,2-b]pyridazine-6-carboxylic acid, 3-bromo-, methyl ester
CAS Number:
1234616-07-9
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD17016077
IUPAC Name:
methyl 3-bromoimidazo[1,2-b]pyridazine-6-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)5-2-3-7-10-4-6(9)12(7)11-5/h2-4H,1H3
InChI Key:
GTMUMEVVAXZMNO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2n(n1)c(Br)cn2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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