5-[2'-Chloro-4'-(trifluoromethyl)phenoxy]-2-nitrothiobenzamide

HCID 20187203
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Basic information

Standard SMILES
NC(=S)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
DNGXEPNYUVZOHY-UHFFFAOYSA-N
Molecular formula
C14H8ClF3N2O3S
Average molar mass
376.7 g/mol
Monoisotopic mass
375.9896255

Names & identifiers

Preferred name
5-[2'-Chloro-4'-(trifluoromethyl)phenoxy]-2-nitrothiobenzamide
IUPAC
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioamide

Names & synonyms

5-[2'-chloro-4'-(trifluoromethyl)phenoxy]-2-nitrothiobenzamideSCHEMBL10773056

Database identifiers

PubChem CID
20187203

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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