Home Halogens 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyrimidine

5-bromo-2-[3-(trifluoromethyl)phenoxy]pyrimidine

CAS No.:
73226-50-3
Catalog Number:
AG01B27J
Molecular Formula:
C11H6BrF3N2O
Molecular Weight:
319.0773
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Product Description
Catalog Number:
AG01B27J
Chemical Name:
5-bromo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CAS Number:
73226-50-3
Molecular Formula:
C11H6BrF3N2O
Molecular Weight:
319.0773
MDL Number:
MFCD19198907
IUPAC Name:
5-bromo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
InChI:
InChI=1S/C11H6BrF3N2O/c12-8-5-16-10(17-6-8)18-9-3-1-2-7(4-9)11(13,14)15/h1-6H
InChI Key:
XXAHBNITIXGYKP-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)Oc1cccc(c1)C(F)(F)F
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.962g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.081g/mol
Monoisotopic Mass:
317.962g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties