Home > Compound List > Compound details
430460-20-1 molecular structure
click picture or here to close

N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide

ChemBase ID: 311692
Molecular Formular: C9H9ClN2O4
Molecular Mass: 244.63176
Monoisotopic Mass: 244.02508446
SMILES and InChIs

SMILES:
[N+](=O)(c1cc(NC(=O)COC)ccc1Cl)[O-]
Canonical SMILES:
COCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl
InChI:
InChI=1S/C9H9ClN2O4/c1-16-5-9(13)11-6-2-3-7(10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)
InChIKey:
MTINYARLRNISBG-UHFFFAOYSA-N

Cite this record

CBID:311692 http://www.chembase.cn/molecule-311692.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide
IUPAC Traditional name
N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide
Synonyms
N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide
CAS Number
430460-20-1
MDL Number
MFCD02924501

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 6636122 external link Add to cart
Data Source Data ID Price
ChemBridge
6636122 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) 1.5808635  LogD (pH = 7.4) 1.5808586 
Log P 1.5808635  Molar Refractivity 58.4997 cm3
Polarizability 21.689272 Å3 Polar Surface Area 81.47 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