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3234 51 3 | Cheminformatics

Chemical : (2,2-Dibromocyclopropyl)benzene

Casrn : 3234-51-3

MolName : (2,2-Dibromocyclopropyl)benzene

MolecularFormula : C9H8Br2

Smiles : BrC(C1)(C1c1ccccc1)Br

InChI : InChI=1S/C9H8Br2/c10-9(11)6-8(9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1

InChIK : RRSAMRMQHHYSGN-QMMMGPOBSA-N

CanonicalSyTyLFy : f5930e0835330597

TotalMolweight : 275.971

Molweight : 275.971

MonoisotopicMass : 273.899272

CLogP : 3.8815

CLogS : -3.737

TotalSurfaceArea : 133.69

Druglikeness : -7.1362

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

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

Shape Index : 0.63636

Molecula Flexibility : 0.41867

Molecular Complexity : 0.62294

Fragments : 1

Non HAtoms : 11

NonCHAtoms : 2

Electronegative Atoms : 2

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Symmetricatoms : 3

StereoCon : racemate

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100-49-2nonenonenoneC7H14O114.187-9.3679
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-50-5nonenonehighC7H10O110.155-9.6048
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000-63-1nonenonehighC8H18O130.23-19.78
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000000-13-4highhighhighC21H28O12472.441-0.17986
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
10002-97-8nonenonenoneC18H30O2278.4340.24997
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-51-6highhighhighC7H8O108.14-2.2456
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-09-4nonenonenoneC8H8O3152.149-1.597
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-56-1highlowlowC6H5ClHg313.149-2.3575
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-13-0nonenonelowC8H7NO2149.149-10.212
100-29-8nonenonenoneC8H9NO3167.163-8.928
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100-63-0highhighnoneC6H8N2108.144-4.3224
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100-92-5nonenonenoneC11H17N163.2631.1672
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100012-67-7highhighhighC12H12O5236.222-19.846
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100-93-6highhighhighC19H18N2O2S338.43-12.848
100020-94-8highnonelowC12H17OCl212.719-11.962
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100-75-4highhighhighC5H10N2O114.147-0.86877
100020-95-9highnonelowC12H17OCl212.719-11.962
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
10-13-2009nonenonenoneC15H14O5274.271-1.4702
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100-61-8highnonenoneC7H9N107.155-0.23765
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100-16-3lowhighnoneC6H7N3O2153.141-9.8627