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85839-74-3 | Pyrido[3,2-c]pyridazine, 3-methyl-6-(2-thienyl)-
CAS No: 85839-74-3 Catalog No: AG004RB8 MDL No:
Product Description
Catalog Number:
AG004RB8
Chemical Name:
Pyrido[3,2-c]pyridazine, 3-methyl-6-(2-thienyl)-
CAS Number:
85839-74-3
Molecular Formula:
C12H9N3S
Molecular Weight:
227.2850
IUPAC Name:
3-methyl-6-thiophen-2-ylpyrido[3,2-c]pyridazine
InChI:
InChI=1S/C12H9N3S/c1-8-7-11-9(15-14-8)4-5-10(13-11)12-3-2-6-16-12/h2-7H,1H3
InChI Key:
VCBDVDXKRQVPOT-UHFFFAOYSA-N
SMILES:
Cc1nnc2c(c1)nc(cc2)c1cccs1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.285g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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