Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

934843 24 0 | Cheminformatics

Chemical : (1Z)-N-[2-(Bromomethyl)-5-chlorophenyl]-2,2,2-trifluoroethanimidoyl chloride

Casrn : 934843-24-0

MolName : (1Z)-N-[2-(Bromomethyl)-5-chlorophenyl]-2,2,2-trifluoroethanimidoyl chloride

MolecularFormula : C9H5NBrCl2F3

Smiles : FC(/C(/Cl)=N/c1c(CBr)ccc(Cl)c1)(F)F

InChI : InChI=1S/C9H5BrCl2F3N/c10-4-5-1-2-6(11)3-7(5)16-8(12)9(13,14)15/h1-3H,4H2

InChIK : PDUKSUULKTYYBU-UHFFFAOYSA-N

CanonicalSyTyLFy : 916197581167ad42

TotalMolweight : 334.95

Molweight : 334.95

MonoisotopicMass : 332.893448

CLogP : 3.2787

CLogS : -4.489

H Acceptors : 1

TotalSurfaceArea : 188.92

Relative PSA : 0.060925

PolarSurfaceArea : 12.36

Druglikeness : -15.981

Mutagenic : low

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : acyl-halogenide type; prim. alky

Shape Index : 0.5

Molecula Flexibility : 0.52073

Molecular Complexity : 0.66071

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 2

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
100-21-0highnonehighC8H6O4166.132-1.8442
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
1000-78-8highlownoneC11H24N2184.326-10.254
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100-76-5nonenonehighC7H13N111.1873.5517
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100-54-9nonenonenoneC6H4N2104.112-6.0498
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100-63-0highhighnoneC6H8N2108.144-4.3224
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100010-21-7nonenonenoneC14H21NO219.327-4.2999
100-69-6nonenonenoneC7H7N105.14-4.4598
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100-71-0nonenonenoneC7H9N107.155-2.2725
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100020-95-9highnonelowC12H17OCl212.719-11.962
100-83-4highnonelowC7H6O2122.123-4.1407
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100-57-2highlowlowC6H6OHg294.703-2.3891
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000269-68-0nonenonenoneC14H24N4248.3730.99367
1000-44-8highhighlowC7H7Cl126.586-8.5908
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-47-0highnonehighC7H5N103.124-6.0498
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100009-88-9nonenonenoneC18H45N7359.604-4.1108
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100009-92-5nonenonenoneC20H23NO4341.4064.6216
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100017-22-9highhighhighC5H8O2100.117-8.1063
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-07-2highhighlowC8H7O2Cl170.595-10.49