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Home > Pyridines > 1334149-34-6
1334149-34-6 | 2,4-dioxo-1,3-dipropyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334149-34-6 Catalog No: AG01AJUQ MDL No:MFCD19686414
Product Description
Catalog Number:
AG01AJUQ
Chemical Name:
2,4-dioxo-1,3-dipropyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334149-34-6
Molecular Formula:
C13H16ClN3O4S
Molecular Weight:
345.8018
MDL Number:
MFCD19686414
IUPAC Name:
2,4-dioxo-1,3-dipropylpyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C13H16ClN3O4S/c1-3-5-16-11-10(7-9(8-15-11)22(14,20)21)12(18)17(6-4-2)13(16)19/h7-8H,3-6H2,1-2H3
InChI Key:
WQZJTPRJFQFOQI-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)c2cc(cnc2n(c1=O)CCC)S(=O)(=O)Cl
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.055g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.798g/mol
Monoisotopic Mass:
345.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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