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502763 72 6 | Cheminformatics

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

Casrn : 502763-72-6

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

MolecularFormula : C9H7Br2F

Smiles : FC(C1)(C1(Br)Br)c1ccccc1

InChI : InChI=1S/C9H7Br2F/c10-9(11)6-8(9,12)7-4-2-1-3-5-7/h1-5H,6H2/t8-/m1/s1

InChIK : UIQIEAQIPAXMRU-MRVPVSSYSA-N

CanonicalSyTyLFy : b5db9e91c5252b22

TotalMolweight : 293.961

Molweight : 293.961

MonoisotopicMass : 291.88985

CLogP : 3.5702

CLogS : -3.817

TotalSurfaceArea : 137.95

Druglikeness : -8.4762

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

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

Shape Index : 0.58333

Molecula Flexibility : 0.47215

Molecular Complexity : 0.71508

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 3

Electronegative Atoms : 3

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
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100-69-6nonenonenoneC7H7N105.14-4.4598
1000-83-5lowhighhighC2H6N2OS106.149-2.264
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
1000-41-5nonenonelowC10H18O154.252-9.05
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-70-9nonenonenoneC6H4N2104.112-6.0498
10000-42-7highhighlowC20H18N4O3362.388-5.7793
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100-50-5nonenonehighC7H10O110.155-9.6048
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000-86-8nonenonenoneC7H1296.1723-10.397
100-47-0highnonehighC7H5N103.124-6.0498
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100-71-0nonenonenoneC7H9N107.155-2.2725
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100005-12-7nonenonelowC11H10NCl191.662.2675
100033-28-1lownonehighC6H9N7179.186-2.3035
100-91-4nonenonehighC17H25NO3291.393.3475
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100-46-9nonenonenoneC7H9N107.155-2.0712
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000-87-9nonenonenoneC7H1296.1723-2.6557
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100-51-6highhighhighC7H8O108.14-2.2456
100-67-4nonenonenoneK.C6H5O93.1047-2.2548