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Home > Pyridines > 1334145-99-1
1334145-99-1 | 1-butyl-3-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334145-99-1 Catalog No: AG01AJUM MDL No:MFCD19686410
Product Description
Catalog Number:
AG01AJUM
Chemical Name:
1-butyl-3-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334145-99-1
Molecular Formula:
C12H14ClN3O4S
Molecular Weight:
331.7753
MDL Number:
MFCD19686410
IUPAC Name:
1-butyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C12H14ClN3O4S/c1-3-4-5-16-10-9(11(17)15(2)12(16)18)6-8(7-14-10)21(13,19)20/h6-7H,3-5H2,1-2H3
InChI Key:
NOXQAIGXTGXMBB-UHFFFAOYSA-N
SMILES:
CCCCn1c2ncc(cc2c(=O)n(c1=O)C)S(=O)(=O)Cl
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.039g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.771g/mol
Monoisotopic Mass:
331.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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