4-(2,5-Dichloro-phenoxy)-3-fluoro-phenylisothiocyanate

HCID 59797663
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Basic information

Standard SMILES
Fc1cc(N=C=S)ccc1Oc1cc(Cl)ccc1Cl
InChIKey
IWPOECNGNCWEJJ-UHFFFAOYSA-N
Molecular formula
C13H6Cl2FNOS
Average molar mass
314.2 g/mol

Names & identifiers

Preferred name
4-(2,5-Dichloro-phenoxy)-3-fluoro-phenylisothiocyanate
IUPAC
1,4-dichloro-2-(2-fluoro-4-isothiocyanatophenoxy)benzene

Names & synonyms

SCHEMBL3526658IWPOECNGNCWEJJ-UHFFFAOYSA-N4-(2,5-Dichloro-phenoxy)-3-fluoro-phenylisothiocyanate

Database identifiers

PubChem CID
59797663

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
53.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

6 records
New reaction record

Compound notes

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