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2039-83-0 molecular structure
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1,2-dichloro-4-ethenylbenzene

ChemBase ID: 90722
Molecular Formular: C8H6Cl2
Molecular Mass: 173.03924
Monoisotopic Mass: 171.98465555
SMILES and InChIs

SMILES:
Clc1c(ccc(c1)C=C)Cl
Canonical SMILES:
C=Cc1ccc(c(c1)Cl)Cl
InChI:
InChI=1S/C8H6Cl2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1H2
InChIKey:
BJQFWAQRPATHTR-UHFFFAOYSA-N

Cite this record

CBID:90722 http://www.chembase.cn/molecule-90722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dichloro-4-ethenylbenzene
IUPAC Traditional name
1,2-dichloro-4-ethenylbenzene
Synonyms
1,2-Dichloro-4-vinylbenzene
1,2-Dichloro-4-ethenylbenzene
3,4-Dichlorostyrene
CAS Number
2039-83-0
PubChem SID
162077462
PubChem CID
74869

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 74869 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9180372  LogD (pH = 7.4) 3.9180372 
Log P 3.9180372  Molar Refractivity 45.3539 cm3
Polarizability 17.60025 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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