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(3-Phenoxy-phenyl)-hydrazine hydrochloride , CAS No.109221-90-1
Basic Description
Synonyms
109221-90-1 | (3-phenoxyphenyl)hydrazine hydrochloride | (3-PHENOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE | (3-phenoxyphenyl)hydrazine;hydrochloride | (3-Phenoxyphenyl)hydrazine HCl | (3-Phenoxy-phenyl)-hydrazine HCl | SCHEMBL4376342 | AB9886 | MFCD06738786 | (3-phenoxyphenyl)hy
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers Phenylhydrazines Phenoxy compounds Phenol ethers Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylether - Diaryl ether - Phenoxy compound - Phenylhydrazine - Phenol ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
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.
Names and Identifiers
IUPAC Name
(3-phenoxyphenyl)hydrazine;hydrochloride
INCHI
InChI=1S/C12H12N2O.ClH/c13-14-10-5-4-8-12(9-10)15-11-6-2-1-3-7-11;/h1-9,14H,13H2;1H
InChIKey
ASGHYEJXROPEMM-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)OC2=CC=CC(=C2)NN.Cl
Isomeric SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)NN.Cl
PubChem CID
53420705
Molecular Weight
236.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
236.700 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
236.072 Da
Monoisotopic Mass
236.072 Da
Topological Polar Surface Area
47.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
180.000
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
2
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