2-[1,3-Dithian-2-yl]-5-nitrobenzoic acid

HCID 13530282
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Basic information

Standard SMILES
O=C(O)c1cc([N+](=O)[O-])ccc1C1SCCCS1
InChIKey
MYCPSWHNFMRHSM-UHFFFAOYSA-N
Molecular formula
C11H11NO4S2
Average molar mass
285.3 g/mol
Monoisotopic mass
285.01295018

Names & identifiers

Preferred name
2-[1,3-Dithian-2-yl]-5-nitrobenzoic acid
IUPAC
2-(1,3-dithian-2-yl)-5-nitrobenzoic acid

Names & synonyms

2-[1,3-Dithian-2-yl]-5-nitrobenzoic acidSCHEMBL10855649MYCPSWHNFMRHSM-UHFFFAOYSA-N

Database identifiers

PubChem CID
13530282

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
134 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
18

Related reactions

6 records
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Compound notes

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