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14628-39-8 | 3(2H)-Pyridazinone, 6-chloro-2-(1-piperidinylmethyl)-
CAS No: 14628-39-8 Catalog No: AG001DU6 MDL No:
Product Description
Catalog Number:
AG001DU6
Chemical Name:
3(2H)-Pyridazinone, 6-chloro-2-(1-piperidinylmethyl)-
CAS Number:
14628-39-8
Molecular Formula:
C10H14ClN3O
Molecular Weight:
227.6907
IUPAC Name:
6-chloro-2-(piperidin-1-ylmethyl)pyridazin-3-one
InChI:
InChI=1S/C10H14ClN3O/c11-9-4-5-10(15)14(12-9)8-13-6-2-1-3-7-13/h4-5H,1-3,6-8H2
InChI Key:
SXQKPUFNRKMWOT-UHFFFAOYSA-N
SMILES:
Clc1ccc(=O)n(n1)CN1CCCCC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.692g/mol
Monoisotopic Mass:
227.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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