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614-72-2 molecular structure
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1-chloro-2-ethoxybenzene

ChemBase ID: 294260
Molecular Formular: C8H9ClO
Molecular Mass: 156.60946
Monoisotopic Mass: 156.03419259
SMILES and InChIs

SMILES:
CCOc1c(Cl)cccc1
Canonical SMILES:
CCOc1ccccc1Cl
InChI:
InChI=1S/C8H9ClO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKey:
IRYSAAMKXPLGAM-UHFFFAOYSA-N

Cite this record

CBID:294260 http://www.chembase.cn/molecule-294260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-2-ethoxybenzene
IUPAC Traditional name
benzene, 1-chloro-2-ethoxy-
Synonyms
1-Chloro-2-ethoxybenzene
CAS Number
614-72-2
MDL Number
MFCD00058930
PubChem SID
180679791
PubChem CID
69197

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD73903 Please log in.
Data Source Data ID
PubChem 69197 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7764273  LogD (pH = 7.4) 2.7764273 
Log P 2.7764273  Molar Refractivity 42.0746 cm3
Polarizability 16.56911 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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