Compound C14H8N2O8S2

5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid

CAS: 69-78-3

Molecular Formula	`C14H8N2O8S2`
Molecular Weight	396.4 g/mol
LogP	2.7
Topological Polar Surface Area	217.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	395.9722
Heavy Atoms	26
Complexity	528.0

Chemical Identifiers

CAS Number	69-78-3
SMILES	`C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]`
InChIKey	`KIUMMUBSPKGMOY-UHFFFAOYSA-N`

📖 Product Overview

Compound C14H8N2O8S2 (CAS: 69-78-3) is a chemical compound with molecular formula C14H8N2O8S2 and molecular weight 396.4 g/mol. Its IUPAC systematic name is 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid. LogP 2.7 Topological Polar Surface Area 217.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 395.9722 Heavy Atoms 26 Complexity 528.0 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N. SMILES: C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-].

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