2-benzylsulfanyl-5-bromopyrimidine


Chemical Name: 2-benzylsulfanyl-5-bromopyrimidine
CAS Number: 79686-18-3
Product Number: AG008LND(AGN-PC-02TQTH)
Synonyms:
MDL No:
Molecular Formula: C11H9BrN2S
Molecular Weight: 281.1716

Identification/Properties


Computed Properties
Molecular Weight:
281.171g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
279.967g/mol
Monoisotopic Mass:
279.967g/mol
Topological Polar Surface Area:
51.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
177
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#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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