BENZOIC ACID, 2-(p-CHLOROPHENYL)HYDRAZIDE , CAS No.17473-76-6

CAS: 17473-76-6 Cat. No.: B667882 Formula: C₁₃H₁₁ClN₂O Peso molecolare: 246.69 PubChem CID: 28566

Synonyms

N'-(4-chlorophenyl)benzohydrazide | BENZOIC ACID, 2-(p-CHLOROPHENYL)HYDRAZIDE | Benzoic (p-chlorophenyl)hydrazide | BRN 0653306 | Benzoic acid, 2-(4-chlorophenyl)hydrazide | DTXSID10169894 | BDBM50086489 | AKOS000279615 | 2-(4-Chlorophenyl)hydrazide benzo

Storage

Room temperature

Specifications

Sinonimi

N'-(4-chlorophenyl)benzohydrazide | BENZOIC ACID, 2-(p-CHLOROPHENYL)HYDRAZIDE | Benzoic (p-chlorophenyl)hydrazide | BRN 0653306 | Benzoic acid, 2-(4-chlorophenyl)hydrazide | DTXSID10169894 | BDBM50086489 | AKOS000279615 | 2-(4-Chlorophenyl)hydrazide benzo

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

3.7

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)Cl

IUPAC Name

N'-(4-chlorophenyl)benzohydrazide

InChIKey

JQDUOCCITWQNES-UHFFFAOYSA-N

INCHI

1S/C13H11ClN2O/c14-11-6-8-12(9-7-11)15-16-13(17)10-4-2-1-3-5-10/h1-9,15H,(H,16,17)

Isomeri SMILES

C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)Cl

PubChem CID

28566

Peso molecolare

246.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Phenylhydrazines Benzoyl derivatives Chlorobenzenes Aryl chlorides Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Phenylhydrazine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

PTGS2 Tclin Prostaglandin G/H synthase 2 (1 Activities)

Discover Target: PTGS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 246.690 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.056 Da
• Monoisotopic Mass: 246.056 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1