2-(4-Hydroxy-3-nitrobenzoyl)benzoic acid

HCID 225705

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 43046-97-5
Standard SMILES: O=C(O)c1ccccc1C(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIKey: XWJQPRPADMOWSK-UHFFFAOYSA-N
Molecular formula: C14H9NO6
Average molar mass: 287.22 g/mol
Monoisotopic mass: 287.04298701

Names & identifiers

Preferred name: 2-(4-Hydroxy-3-nitrobenzoyl)benzoic acid
IUPAC: 2-(4-hydroxy-3-nitrobenzoyl)benzoic acid

Names & synonyms

2-(4-hydroxy-3-nitrobenzoyl)benzoic acid43046-97-5DTXSID40280081RefChem:252406DTXCID40231235NSC-15368NSC15368o-(4-Hydroxy-3-nitrobenzoyl)benzoic acidSCHEMBL1466999CHEMBL2059069SCHEMBL30001647XWJQPRPADMOWSK-UHFFFAOYSA-N

Show more names

2-(4-hydroxy-3-nitro-benzoyl)benzoic acid2-[(4-hydroxy-3-nitrophenyl)carbonyl]benzoic acid

Database identifiers

CAS: 43046-97-5
PubChem CID: 225705
DTXSID: DTXSID40280081
ChEMBL: CHEMBL2059069
Nikkaji: J22.418I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 432

Related reactions

5 records

New reaction record

HRID 365653As productuspto-grants-2000_10

HRID 676631As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1215544As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2261982As reactantuspto-grants-2010_12

HRID 2367136As reactantuspto-grants-2014_04

Compound notes

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