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100224-52-0 | 1-Piperazinecarboxylic acid, 4-(6-chloro-3-pyridazinyl)-, ethyl ester
CAS No: 100224-52-0 Catalog No: AG00019Y MDL No:
Product Description
Catalog Number:
AG00019Y
Chemical Name:
1-Piperazinecarboxylic acid, 4-(6-chloro-3-pyridazinyl)-, ethyl ester
CAS Number:
100224-52-0
Molecular Formula:
C11H15ClN4O2
Molecular Weight:
270.7154
IUPAC Name:
ethyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C11H15ClN4O2/c1-2-18-11(17)16-7-5-15(6-8-16)10-4-3-9(12)13-14-10/h3-4H,2,5-8H2,1H3
InChI Key:
RIZCBKLKLNHOHR-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1ccc(nn1)Cl
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.717g/mol
Monoisotopic Mass:
270.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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