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Home > Pyridines > 1334145-97-9
1334145-97-9 | 1-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334145-97-9 Catalog No: AG01AJUK MDL No:MFCD19686408
Product Description
Catalog Number:
AG01AJUK
Chemical Name:
1-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334145-97-9
Molecular Formula:
C14H10ClN3O4S
Molecular Weight:
351.7649
MDL Number:
MFCD19686408
IUPAC Name:
1-benzyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C14H10ClN3O4S/c15-23(21,22)10-6-11-12(16-7-10)18(14(20)17-13(11)19)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,19,20)
InChI Key:
VXACGUKPZXZUQK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(c2c1cc(cn2)S(=O)(=O)Cl)Cc1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.008g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.761g/mol
Monoisotopic Mass:
351.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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