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Home > Pyridines > 1334147-33-9
1334147-33-9 | 1-butyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334147-33-9 Catalog No: AG01AJUO MDL No:MFCD19686412
Product Description
Catalog Number:
AG01AJUO
Chemical Name:
1-butyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334147-33-9
Molecular Formula:
C11H12ClN3O4S
Molecular Weight:
317.7487
MDL Number:
MFCD19686412
IUPAC Name:
1-butyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C11H12ClN3O4S/c1-2-3-4-15-9-8(10(16)14-11(15)17)5-7(6-13-9)20(12,18)19/h5-6H,2-4H2,1H3,(H,14,16,17)
InChI Key:
UDQVJROIBDPSFX-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)[nH]c(=O)c2c1ncc(c2)S(=O)(=O)Cl
Properties
Complexity:
504
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:
1
Isotope Atom Count:
0
Molecular Weight:
317.744g/mol
Monoisotopic Mass:
317.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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