Home > Compound List > Compound details
98919-15-4 molecular structure
click picture or here to close

1,2-dichloro-4-(2,2-diethoxyethoxy)benzene

ChemBase ID: 84388
Molecular Formular: C12H16Cl2O3
Molecular Mass: 279.15964
Monoisotopic Mass: 278.04764973
SMILES and InChIs

SMILES:
O(c1cc(c(cc1)Cl)Cl)CC(OCC)OCC
Canonical SMILES:
CCOC(COc1ccc(c(c1)Cl)Cl)OCC
InChI:
InChI=1S/C12H16Cl2O3/c1-3-15-12(16-4-2)8-17-9-5-6-10(13)11(14)7-9/h5-7,12H,3-4,8H2,1-2H3
InChIKey:
LVANXKPFPPBKDQ-UHFFFAOYSA-N

Cite this record

CBID:84388 http://www.chembase.cn/molecule-84388.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dichloro-4-(2,2-diethoxyethoxy)benzene
IUPAC Traditional name
1,2-dichloro-4-(2,2-diethoxyethoxy)benzene
Synonyms
1,2-dichloro-4-(2,2-diethoxyethoxy)benzene
CAS Number
98919-15-4
MDL Number
MFCD00052424
PubChem SID
162071504
PubChem CID
2782022

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR27258 external link Add to cart Please log in.
Data Source Data ID
PubChem 2782022 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9692068  LogD (pH = 7.4) 3.9692068 
Log P 3.9692068  Molar Refractivity 68.4526 cm3
Polarizability 27.264456 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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