5-Bromo-8-(trifluoromethoxy)quinoline

Formula:C10H5NOBrF3 CAS:1065074-23-8 ChemrytIQ

PropertyValue
Casrn1065074-23-8
MolName5-Bromo-8-(trifluoromethoxy)quinoline
MolecularFormulaC10H5NOBrF3
SmilesFC(Oc(c1ncccc11)ccc1Br)(F)F
InChIInChI=1S/C10H5BrF3NO/c11-7-3-4-8(16-10(12,13)14)9-6(7)2-1-5-15-9/h1-5H
InChIKWOLINLSINJUVKT-UHFFFAOYSA-N
CanonicalSyTyLFy169b9e4f0ffc5424
TotalMolweight292.054
Molweight292.054
MonoisotopicMass290.950659
CLogP3.7998
CLogS-4.179
H Acceptors2
TotalSurfaceArea164.71
Relative PSA0.12731
PolarSurfaceArea22.12
Druglikeness-11.736
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Molecula Flexibility0.35552
Molecular Complexity0.75402
Fragments1
Non HAtoms16
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-46-9nonenonenoneC7H9N107.155-2.0712 ChemrytIQ
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1000-70-0nonelowhighC7H18N2Si2186.406-43.673 ChemrytIQ
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1000-57-3highnonelowC6H16SSn238.969-7.4261 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883 ChemrytIQ
100-67-4nonenonenoneK.C6H5O93.1047-2.2548 ChemrytIQ
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575 ChemrytIQ
100-57-2highlowlowC6H6OHg294.703-2.3891 ChemrytIQ
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1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275 ChemrytIQ
100009-88-9nonenonenoneC18H45N7359.604-4.1108 ChemrytIQ
100-65-2highnonenoneC6H7NO109.128-1.548 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
100010-21-7nonenonenoneC14H21NO219.327-4.2999 ChemrytIQ
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1000-67-5nonenonehighC4H9O4S.Na153.177-10.412 ChemrytIQ
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176 ChemrytIQ
10001-08-8nonenonehighC11H22N2O198.309-3.1037 ChemrytIQ
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-13-0nonenonelowC8H7NO2149.149-10.212 ChemrytIQ
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793 ChemrytIQ
100-86-7nonenonenoneC10H14O150.22-2.4187 ChemrytIQ
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895 ChemrytIQ
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861 ChemrytIQ
100-40-3nonenonehighC8H12108.183-9.1684 ChemrytIQ
10001-46-4nonenonenoneC9H11N3O3209.2041.9565 ChemrytIQ
1000-83-5lowhighhighC2H6N2OS106.149-2.264 ChemrytIQ
100-15-2nonehighnoneC7H8N2O2152.153-5.7806 ChemrytIQ
100007-55-4nonenonenoneC35H39O19763.676-1.2907 ChemrytIQ
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075 ChemrytIQ
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218 ChemrytIQ
1000-63-1nonenonehighC8H18O130.23-19.78 ChemrytIQ
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1000160-75-7nonenonelowC14H17O2BS260.164-20.35 ChemrytIQ
100-81-2nonenonenoneC8H11N121.182-2.1005 ChemrytIQ
100004-80-6nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
100-83-4highnonelowC7H6O2122.123-4.1407 ChemrytIQ
100-96-9highnonenoneC7H10N2O138.169-1.7412 ChemrytIQ
100004-79-3nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
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