C1=CC=C(C=C1)CCI
CAS: 17376-04-4
Nom: 2-iodoethylbenzene
SMILES: C1=CC=C(C=C1)CCI

Molecular Processing

Molecular formula
C8H9I
Molecular weight
232.06
Exact mass
231.9749
XLogP
2.66
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
49.03

Supplementary Information

InChIKey: KVTHPKXDLVYNCH-UHFFFAOYSA-N
Synonymes
Benzene, (2-iodoethyl)-AI3-52406RefChem:562111(2-IODOETHYL)BENZENE17376-04-42-Iodoethylbenzene2-Phenylethyl iodidePhenethyl iodideMFCD00039408DTXSID5025447(2-iodoethyl) benzene(2-Iodoethyl)-benzene.beta.-Phenethyl iodideIodoethyl benzenephenethyliodidep-iodoethylbenzenephenylethyl iodide4-iodoethylbenzene(2-iodo-ethyl)benzene.beta.-Phenylethyl iodide(2-Iodoethyl)benzene, 97%SCHEMBL172979DTXCID305447SCHEMBL2891655CHEMBL1472377Tox21_200053AKOS009157873CS-W012940NCGC00091564-01NCGC00091564-02
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→