Home Halogens methyl 6-bromo-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate

methyl 6-bromo-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate

CAS No.:
2138253-50-4
Catalog Number:
AG01ELHH
Molecular Formula:
C9H5BrF3N3O2
Molecular Weight:
324.0541
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ELHH
Chemical Name:
methyl 6-bromo-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
CAS Number:
2138253-50-4
Molecular Formula:
C9H5BrF3N3O2
Molecular Weight:
324.0541
MDL Number:
MFCD31559376
IUPAC Name:
methyl 6-bromo-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
InChI:
InChI=1S/C9H5BrF3N3O2/c1-18-7(17)5-6-14-4(9(11,12)13)2-3-16(6)8(10)15-5/h2-3H,1H3
InChI Key:
JMMOFHIRNBQYTG-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(n2c1nc(cc2)C(F)(F)F)Br
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.952g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.057g/mol
Monoisotopic Mass:
322.952g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties