2-(2-Benzylidenehydrazino)benzoic acid

HCID 222687

Notes Reactions

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Basic information

Standard SMILES: O=C(O)c1ccccc1NN=Cc1ccccc1
InChIKey: JWHPRNIQGLRBPH-UHFFFAOYSA-N
Molecular formula: C14H12N2O2
Average molar mass: 240.26 g/mol

Names & identifiers

Preferred name: 2-(2-Benzylidenehydrazino)benzoic acid
IUPAC: 2-(2-benzylidenehydrazinyl)benzoic acid

Names & synonyms

MLS002638085SCHEMBL1522387CHEMBL1712753JWHPRNIQGLRBPH-UHFFFAOYSA-NHMS3080P092-(2-Benzylidenehydrazino)benzoic acidSMR0015475782-(N'-Benzylidene-hydrazino)-benzoic acid

Database identifiers

PubChem CID: 222687
ChEMBL: CHEMBL1712753

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 61.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 298

Related reactions

8 records

New reaction record

HRID 149444As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 552089As productuspto-grants-2011_05

HRID 552092As reactantuspto-grants-2011_05

HRID 601178As reactantuspto-grants-2011_03

HRID 1444659As productuspto-grants-2010_02

HRID 1444662As reactantuspto-grants-2010_02

HRID 1557471As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2146611As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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