Home Halogens 4-Piperidineacetic acid, 1-(6-chloro-3-pyridazinyl)-, ethyl ester

4-Piperidineacetic acid, 1-(6-chloro-3-pyridazinyl)-, ethyl ester

CAS No.:
1246471-48-6
Catalog Number:
AG000MIJ
Molecular Formula:
C13H18ClN3O2
Molecular Weight:
283.7539
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Product Description
Catalog Number:
AG000MIJ
Chemical Name:
4-Piperidineacetic acid, 1-(6-chloro-3-pyridazinyl)-, ethyl ester
CAS Number:
1246471-48-6
Molecular Formula:
C13H18ClN3O2
Molecular Weight:
283.7539
MDL Number:
MFCD17171371
IUPAC Name:
ethyl 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetate
InChI:
InChI=1S/C13H18ClN3O2/c1-2-19-13(18)9-10-5-7-17(8-6-10)12-4-3-11(14)15-16-12/h3-4,10H,2,5-9H2,1H3
InChI Key:
OJTDRIHFGFJLBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCN(CC1)c1ccc(nn1)Cl
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.109g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.756g/mol
Monoisotopic Mass:
283.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties