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1020253-25-1 | Quinoline, 8-bromo-6-(trifluoromethoxy)-
CAS No: 1020253-25-1 Catalog No: AG0006E0 MDL No:MFCD09972204
Product Description
Catalog Number:
AG0006E0
Chemical Name:
Quinoline, 8-bromo-6-(trifluoromethoxy)-
CAS Number:
1020253-25-1
Molecular Formula:
C10H5BrF3NO
Molecular Weight:
292.0520
MDL Number:
MFCD09972204
IUPAC Name:
8-bromo-6-(trifluoromethoxy)quinoline
InChI:
InChI=1S/C10H5BrF3NO/c11-8-5-7(16-10(12,13)14)4-6-2-1-3-15-9(6)8/h1-5H
InChI Key:
VDJIPDVPISXOMB-UHFFFAOYSA-N
SMILES:
Brc1cc(cc2c1nccc2)OC(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.055g/mol
Monoisotopic Mass:
290.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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