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1383624-01-8 | Imidazo[1,2-b]pyridazine, 6-chloro-2-(4-ethyl-3-nitrophenyl)-
CAS No: 1383624-01-8 Catalog No: AG0018N2 MDL No:
Product Description
Catalog Number:
AG0018N2
Chemical Name:
Imidazo[1,2-b]pyridazine, 6-chloro-2-(4-ethyl-3-nitrophenyl)-
CAS Number:
1383624-01-8
Molecular Formula:
C14H11ClN4O2
Molecular Weight:
302.7157
IUPAC Name:
6-chloro-2-(4-ethyl-3-nitrophenyl)imidazo[1,2-b]pyridazine
InChI:
InChI=1S/C14H11ClN4O2/c1-2-9-3-4-10(7-12(9)19(20)21)11-8-18-14(16-11)6-5-13(15)17-18/h3-8H,2H2,1H3
InChI Key:
XDDKCUNEMDDJMN-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1[N+](=O)[O-])c1cn2c(n1)ccc(n2)Cl
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.718g/mol
Monoisotopic Mass:
302.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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