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176722-63-7 | Quinoline, 8-bromo-2-(trifluoromethyl)-
CAS No: 176722-63-7 Catalog No: AG0024UQ MDL No:MFCD08741357
Product Description
Catalog Number:
AG0024UQ
Chemical Name:
Quinoline, 8-bromo-2-(trifluoromethyl)-
CAS Number:
176722-63-7
Molecular Formula:
C10H5BrF3N
Molecular Weight:
276.0526
MDL Number:
MFCD08741357
IUPAC Name:
8-bromo-2-(trifluoromethyl)quinoline
InChI:
InChI=1S/C10H5BrF3N/c11-7-3-1-2-6-4-5-8(10(12,13)14)15-9(6)7/h1-5H
InChI Key:
OSWXDIFARUFKTR-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1nc(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:
3.9
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