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Home > Pyridines > 1384431-51-9
1384431-51-9 | 2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1384431-51-9 Catalog No: AG019SNP MDL No:MFCD22056455
Product Description
Catalog Number:
AG019SNP
Chemical Name:
2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1384431-51-9
Molecular Formula:
C7H4ClN3O4S
Molecular Weight:
261.6424
MDL Number:
MFCD22056455
IUPAC Name:
2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C7H4ClN3O4S/c8-16(14,15)3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13)
InChI Key:
QUOKVTMCGVIFQC-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)ncc(c2)S(=O)(=O)Cl
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.961g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.636g/mol
Monoisotopic Mass:
260.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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