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

C12H14NO2Cl 4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline | Chemryt

4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline

Molecular Formula : C12H14NO2Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : |

MolName : 4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline

MolecularFormula : C12H14NO2Cl

Smiles : Nc1ccc(/C=C/C2(CCl)OCCO2)cc1

InChI : InChI=1S/C12H14ClNO2/c13-9-12(15-7-8-16-12)6-5-10-1-3-11(14)4-2-10/h1-6H,7-9,14H2

InChIK : JNIBNNJWQQUVFI-UHFFFAOYSA-N

TotalMolweight : 239.701

Molweight : 239.701

MonoisotopicMass : 239.071306

CLogP : 1.7976

CLogS : -2.957

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 181.89

Relative PSA : 0.19391

PolarSurfaceArea : 44.48

Druglikeness : -8.1049

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Shape Index : 0.625

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 4

Amines : 1

Aromatic Amines : 1

Request More Details | 4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments