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17343 73 6 | Cheminformatics

Chemical : (2,2-Dibromo-1-methylcyclopropyl)benzene

Casrn : 17343-73-6

MolName : (2,2-Dibromo-1-methylcyclopropyl)benzene

MolecularFormula : C10H10Br2

Smiles : CC(C1)(C1(Br)Br)c1ccccc1

InChI : InChI=1S/C10H10Br2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3/t9-/m1/s1

InChIK : KGWGHLIDYDPYNQ-SECBINFHSA-N

CanonicalSyTyLFy : fa51dc1ba53beb06

TotalMolweight : 289.997

Molweight : 289.997

MonoisotopicMass : 287.914922

CLogP : 3.6535

CLogS : -4.026

TotalSurfaceArea : 143.86

Druglikeness : -6.6772

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

Nasty Functions : sec./tert. alkyl-bromide/iodide

Shape Index : 0.58333

Molecula Flexibility : 0.38643

Molecular Complexity : 0.71508

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 2

Electronegative Atoms : 2

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

Symmetricatoms : 3

StereoCon : racemate

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-50-5nonenonehighC7H10O110.155-9.6048
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100-89-0nonenonelowC18H36O6B2370.1-16.157
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100-75-4highhighhighC5H10N2O114.147-0.86877
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-96-9highnonenoneC7H10N2O138.169-1.7412
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100005-12-7nonenonelowC11H10NCl191.662.2675
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100-62-9lownonenoneC7H7N105.14-1.1924
100-63-0highhighnoneC6H8N2108.144-4.3224
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100-73-2highnonenoneC6H8O2112.128-6.3422
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100009-23-2nonenonehighC17H22226.362-9.7346
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-64-1highhighnoneC6H11NO113.159-6.4182
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100020-94-8highnonelowC12H17OCl212.719-11.962
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-40-3nonenonehighC8H12108.183-9.1684
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100-18-5nonenonenoneC12H18162.275-2.5088
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100-97-0highhighhighC6H12N4140.1891.5849
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000-16-4nonenonenoneC13H30NO3P279.359-34.244