Home > Compound List > Compound details
66961-19-1 molecular structure
click picture or here to close

2-(2-nitrophenoxy)benzaldehyde

ChemBase ID: 310607
Molecular Formular: C13H9NO4
Molecular Mass: 243.21486
Monoisotopic Mass: 243.05315777
SMILES and InChIs

SMILES:
[N+](=O)(c1c(Oc2c(C=O)cccc2)cccc1)[O-]
Canonical SMILES:
O=Cc1ccccc1Oc1ccccc1[N+](=O)[O-]
InChI:
InChI=1S/C13H9NO4/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-9H
InChIKey:
GJXQFZNGTPPSPV-UHFFFAOYSA-N

Cite this record

CBID:310607 http://www.chembase.cn/molecule-310607.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-nitrophenoxy)benzaldehyde
IUPAC Traditional name
2-(2-nitrophenoxy)benzaldehyde
Synonyms
2-(2-nitrophenoxy)benzaldehyde
CAS Number
66961-19-1
MDL Number
MFCD00156891

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5144034 external link Add to cart
Data Source Data ID Price
ChemBridge
5144034 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1260195  LogD (pH = 7.4) 3.1260195 
Log P 3.1260195  Molar Refractivity 65.2033 cm3
Polarizability 24.431852 Å3 Polar Surface Area 69.44 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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