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Home > Pyridines > 1240529-56-9
1240529-56-9 | 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1240529-56-9 Catalog No: AG01A902 MDL No:MFCD16547584
Product Description
Catalog Number:
AG01A902
Chemical Name:
1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1240529-56-9
Molecular Formula:
C9H8ClN3O4S
Molecular Weight:
289.6955
MDL Number:
MFCD16547584
IUPAC Name:
1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C9H8ClN3O4S/c1-12-7-6(8(14)13(2)9(12)15)3-5(4-11-7)18(10,16)17/h3-4H,1-2H3
InChI Key:
OHOWJILXMPMPGH-UHFFFAOYSA-N
SMILES:
Cn1c(=O)c2cc(cnc2n(c1=O)C)S(=O)(=O)Cl
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.69g/mol
Monoisotopic Mass:
288.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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