Home > Compound List > Compound details
53581-87-6 molecular structure
click picture or here to close

2,4-dichloro-5-nitrobenzaldehyde

ChemBase ID: 311870
Molecular Formular: C7H3Cl2NO3
Molecular Mass: 220.00962
Monoisotopic Mass: 218.94899832
SMILES and InChIs

SMILES:
c1([N+](=O)[O-])cc(c(cc1Cl)Cl)C=O
Canonical SMILES:
O=Cc1cc([N+](=O)[O-])c(cc1Cl)Cl
InChI:
InChI=1S/C7H3Cl2NO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-3H
InChIKey:
ZFEFNOHHULUFFM-UHFFFAOYSA-N

Cite this record

CBID:311870 http://www.chembase.cn/molecule-311870.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-5-nitrobenzaldehyde
IUPAC Traditional name
2,4-dichloro-5-nitrobenzaldehyde
Synonyms
2,4-dichloro-5-nitrobenzaldehyde
CAS Number
53581-87-6
MDL Number
MFCD05625133

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 7032669 external link Add to cart
Data Source Data ID Price
ChemBridge
7032669 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) 2.8338218  LogD (pH = 7.4) 2.8338218 
Log P 2.8338218  Molar Refractivity 48.5721 cm3
Polarizability 18.125704 Å3 Polar Surface Area 60.21 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