Home > Compound List > Compound details
206761-84-4 molecular structure
click picture or here to close

3-phenoxybenzohydrazide

ChemBase ID: 52182
Molecular Formular: C13H12N2O2
Molecular Mass: 228.24658
Monoisotopic Mass: 228.08987763
SMILES and InChIs

SMILES:
C(=O)(c1cc(ccc1)Oc1ccccc1)NN
Canonical SMILES:
NNC(=O)c1cccc(c1)Oc1ccccc1
InChI:
InChI=1S/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16)
InChIKey:
AZEXBWWYRSXTTN-UHFFFAOYSA-N

Cite this record

CBID:52182 http://www.chembase.cn/molecule-52182.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenoxybenzohydrazide
IUPAC Traditional name
3-phenoxybenzohydrazide
Synonyms
3-Phenoxybenzhydrazide
CAS Number
206761-84-4
MDL Number
MFCD01090945
PubChem SID
162056945
PubChem CID
607488

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
056796 external link Add to cart Please log in.
Data Source Data ID
PubChem 607488 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.96318  H Acceptors
H Donor LogD (pH = 5.5) 2.0268552 
LogD (pH = 7.4) 2.0276868  Log P 2.0276976 
Molar Refractivity 65.8613 cm3 Polarizability 24.909859 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
108-110°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle