Home Halogens 3-bromo-8-(trifluoromethyl)quinoline

3-bromo-8-(trifluoromethyl)quinoline

CAS No.:
1059064-11-7
Catalog Number:
AG0095U5
Molecular Formula:
C10H5BrF3N
Molecular Weight:
276.0526
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Product Description
Catalog Number:
AG0095U5
Chemical Name:
3-bromo-8-(trifluoromethyl)quinoline
CAS Number:
1059064-11-7
Molecular Formula:
C10H5BrF3N
Molecular Weight:
276.0526
MDL Number:
MFCD25542362
IUPAC Name:
3-bromo-8-(trifluoromethyl)quinoline
InChI:
InChI=1S/C10H5BrF3N/c11-7-4-6-2-1-3-8(10(12,13)14)9(6)15-5-7/h1-5H
InChI Key:
XBDHUSCQFYNCEO-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)cccc2C(F)(F)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.956g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.056g/mol
Monoisotopic Mass:
274.956g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties