Home Halogens 4-bromo-6-(trifluoromethyl)isoquinoline

4-bromo-6-(trifluoromethyl)isoquinoline

CAS No.:
1782509-09-4
Catalog Number:
AG01DVU6
Molecular Formula:
C10H5BrF3N
Molecular Weight:
276.0526
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Product Description
Catalog Number:
AG01DVU6
Chemical Name:
4-bromo-6-(trifluoromethyl)isoquinoline
CAS Number:
1782509-09-4
Molecular Formula:
C10H5BrF3N
Molecular Weight:
276.0526
MDL Number:
MFCD31615588
IUPAC Name:
4-bromo-6-(trifluoromethyl)isoquinoline
InChI:
InChI=1S/C10H5BrF3N/c11-9-5-15-4-6-1-2-7(3-8(6)9)10(12,13)14/h1-5H
InChI Key:
BHLMEFHULAMRLC-UHFFFAOYSA-N
SMILES:
Brc1cncc2c1cc(cc2)C(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:
3.7  
Properties