Home Halogens 5-bromo-2-[(trifluoromethyl)sulfanyl]pyrimidine

5-bromo-2-[(trifluoromethyl)sulfanyl]pyrimidine

CAS No.:
2091632-09-4
Catalog Number:
AG01DW6X
Molecular Formula:
C5H2BrF3N2S
Molecular Weight:
259.0470
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Product Description
Catalog Number:
AG01DW6X
Chemical Name:
5-bromo-2-[(trifluoromethyl)sulfanyl]pyrimidine
CAS Number:
2091632-09-4
Molecular Formula:
C5H2BrF3N2S
Molecular Weight:
259.0470
MDL Number:
MFCD29924405
IUPAC Name:
5-bromo-2-(trifluoromethylsulfanyl)pyrimidine
InChI:
InChI=1S/C5H2BrF3N2S/c6-3-1-10-4(11-2-3)12-5(7,8)9/h1-2H
InChI Key:
HRSLSXKSIRFEIP-UHFFFAOYSA-N
SMILES:
FC(Sc1ncc(cn1)Br)(F)F
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.907g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.044g/mol
Monoisotopic Mass:
257.907g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties