tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate


Chemical Name: tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CAS Number: 1053656-57-7
Product Number: AG0038ZQ(AGN-PC-09MQQE)
Synonyms:
MDL No:
Molecular Formula: C12H16ClN3O2
Molecular Weight: 269.7273

Identification/Properties


Computed Properties
Molecular Weight:
269.729g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
269.093g/mol
Monoisotopic Mass:
269.093g/mol
Topological Polar Surface Area:
55.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
319
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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