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1123-84-8 molecular structure
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1,4-dichloro-2-ethenylbenzene

ChemBase ID: 180384
Molecular Formular: C8H6Cl2
Molecular Mass: 173.03924
Monoisotopic Mass: 171.98465555
SMILES and InChIs

SMILES:
C=Cc1c(ccc(c1)Cl)Cl
Canonical SMILES:
C=Cc1cc(Cl)ccc1Cl
InChI:
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
InChIKey:
IZMZREOTRMMCCB-UHFFFAOYSA-N

Cite this record

CBID:180384 http://www.chembase.cn/molecule-180384.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dichloro-2-ethenylbenzene
IUPAC Traditional name
1,4-dichloro-2-ethenylbenzene
Synonyms
2,5-Dichlorostyrene
CAS Number
1123-84-8
PubChem SID
164236294
PubChem CID
14294

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14294 external link
Chemik CHB70310 external link Add to cart
Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 14294 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 17.573229 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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