[(2-Chloro-6-nitro-phenyl)-thio]acetic acid

HCID 20522282
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Basic information

Standard SMILES
O=C(O)CSc1c(Cl)cccc1[N+](=O)[O-]
InChIKey
FCBMQJDORDUEIM-UHFFFAOYSA-N
Molecular formula
C8H6ClNO4S
Average molar mass
247.66 g/mol
Monoisotopic mass
246.9706065

Names & identifiers

Preferred name
[(2-Chloro-6-nitro-phenyl)-thio]acetic acid
IUPAC
2-(2-chloro-6-nitrophenyl)sulfanylacetic acid

Names & synonyms

SCHEMBL11206055FCBMQJDORDUEIM-UHFFFAOYSA-N[(2-chloro-6-nitro-phenyl)-thio]acetic acid

Database identifiers

PubChem CID
20522282

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
108 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
15

Related reactions

1 records
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Compound notes

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