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Home > Pyridines > 1334146-01-8
1334146-01-8 | 1-ethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334146-01-8 Catalog No: AG01AJUS MDL No:MFCD19686416
Product Description
Catalog Number:
AG01AJUS
Chemical Name:
1-ethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334146-01-8
Molecular Formula:
C9H8ClN3O4S
Molecular Weight:
289.6955
MDL Number:
MFCD19686416
IUPAC Name:
1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C9H8ClN3O4S/c1-2-13-7-6(8(14)12-9(13)15)3-5(4-11-7)18(10,16)17/h3-4H,2H2,1H3,(H,12,14,15)
InChI Key:
MNKBODDXCBQASV-UHFFFAOYSA-N
SMILES:
CCn1c(=O)[nH]c(=O)c2c1ncc(c2)S(=O)(=O)Cl
Properties
Complexity:
475
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:
1
Isotope Atom Count:
0
Molecular Weight:
289.69g/mol
Monoisotopic Mass:
288.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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