100 58 3 | Cheminformatics

Magnesium, bromophenyl-

Formula:Br.C6H5Mg CAS:100-58-3

PropertyValue
Casrn100-58-3
MolNameMagnesium, bromophenyl-
MolecularFormulaBr.C6H5Mg
Smiles[Mg+]c1ccccc1.[Br-]
InChIInChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
InChIKANRQGKOBLBYXFM-UHFFFAOYSA-M
CanonicalSyTyLFya97252bbe15ec8dc
TotalMolweight181.315
Molweight101.411
MonoisotopicMass101.024167
CLogP1.383
CLogS-1.435
TotalSurfaceArea66.51
Druglikeness-2.3575
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Molecular Complexity0.64864
Fragments2
Non HAtoms7
NonCHAtoms1
Metal Atoms1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetricatoms2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000-87-9nonenonenoneC7H1296.1723-2.6557
100007-62-3nonenonehighC8H13NO139.197-8.1398
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000-41-5nonenonelowC10H18O154.252-9.05
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000284-53-6nonenonehighC18H36O2284.482-15.583
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100-86-7nonenonenoneC10H14O150.22-2.4187
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100-99-2nonenonelowC12H27Al198.328-22.009
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100-09-4nonenonenoneC8H8O3152.149-1.597
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100005-12-7nonenonelowC11H10NCl191.662.2675
100-47-0highnonehighC7H5N103.124-6.0498
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-92-5nonenonenoneC11H17N163.2631.1672
10002-97-8nonenonenoneC18H30O2278.4340.24997
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-50-5nonenonehighC7H10O110.155-9.6048
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
100-97-0highhighhighC6H12N4140.1891.5849
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100-45-8nonenonehighC7H9N107.155-10.018
1000-57-3highnonelowC6H16SSn238.969-7.4261
100-28-7highlowlowC7H4N2O3164.12-21.552
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-06-1nonenonenoneC9H10O2150.176-1.6836
100020-95-9highnonelowC12H17OCl212.719-11.962
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100-22-1highhighnoneC10H16N2164.2510.40939