methyl 5-bromo-2-propan-2-ylpyrimidine-4-carboxylate


Chemical Name: methyl 5-bromo-2-propan-2-ylpyrimidine-4-carboxylate
CAS Number: 1316122-22-1
Product Number: AG000ZHT(AGN-PC-0HD04N)
Synonyms:
MDL No:
Molecular Formula: C9H11BrN2O2
Molecular Weight: 259.0998

Identification/Properties


Computed Properties
Molecular Weight:
259.103g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
258g/mol
Monoisotopic Mass:
258g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
211
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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