Home Carboxys Imidazo[1,2-b]pyridazine-2-carboxylic acid, 6-(4-fluoro-3-methylphenyl)-8-(1-methylethyl)-, methyl ester

Imidazo[1,2-b]pyridazine-2-carboxylic acid, 6-(4-fluoro-3-methylphenyl)-8-(1-methylethyl)-, methyl ester

CAS No.:
1690177-08-2
Catalog Number:
AG00IM63
Molecular Formula:
C18H18FN3O2
Molecular Weight:
327.3528
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Product Description
Catalog Number:
AG00IM63
Chemical Name:
Imidazo[1,2-b]pyridazine-2-carboxylic acid, 6-(4-fluoro-3-methylphenyl)-8-(1-methylethyl)-, methyl ester
CAS Number:
1690177-08-2
Molecular Formula:
C18H18FN3O2
Molecular Weight:
327.3528
MDL Number:
MFCD31380066
IUPAC Name:
methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate
InChI:
InChI=1S/C18H18FN3O2/c1-10(2)13-8-15(12-5-6-14(19)11(3)7-12)21-22-9-16(18(23)24-4)20-17(13)22/h5-10H,1-4H3
InChI Key:
QWMYLPKXJLBOLP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn2c(n1)c(cc(n2)c1ccc(c(c1)C)F)C(C)C
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.138g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.359g/mol
Monoisotopic Mass:
327.138g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties