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2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

CAS: 312749-73-8

Formula: C15H13ClN2OS

SMILES: ClC1=CC=C(OCCSC2=NC3=CC=CC=C3N2)C=C1

IUPAC: 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

InChI: InChI=1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)19-9-10-20-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)

Composition: C (59.11%), H (4.30%), Cl (11.63%), N (9.19%), O (5.25%), S (10.52%)

Molar Mass: 304.79

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 304.0437119
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KZEWVENYWPSSOZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.76
Topological Polar Surface Area 37.91
Polarizability 33.52
Ring Count 3
Rotatable Bond Count 5

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