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Home > Pyridines > 1334148-79-6
1334148-79-6 | 3-methyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334148-79-6 Catalog No: AG01AJUT MDL No:MFCD19686417
Product Description
Catalog Number:
AG01AJUT
Chemical Name:
3-methyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334148-79-6
Molecular Formula:
C11H12ClN3O4S
Molecular Weight:
317.7487
MDL Number:
MFCD19686417
IUPAC Name:
3-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C11H12ClN3O4S/c1-3-4-15-9-8(10(16)14(2)11(15)17)5-7(6-13-9)20(12,18)19/h5-6H,3-4H2,1-2H3
InChI Key:
GTDFCKZZZXZDAC-UHFFFAOYSA-N
SMILES:
CCCn1c2ncc(cc2c(=O)n(c1=O)C)S(=O)(=O)Cl
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.024g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.744g/mol
Monoisotopic Mass:
317.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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