6-bromo-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one


Chemical Name: 6-bromo-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CAS Number: 352328-87-1
Product Number: AG00CQWA(AGN-PC-03KWBF)
Synonyms:
MDL No:
Molecular Formula: C8H6BrN3OS
Molecular Weight: 272.1217

Identification/Properties


Computed Properties
Molecular Weight:
272.12g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
270.941g/mol
Monoisotopic Mass:
270.941g/mol
Topological Polar Surface Area:
80.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
284
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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