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4714-23-2 molecular structure
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1-chloro-4-[(E)-2-phenylethenyl]benzene

ChemBase ID: 58454
Molecular Formular: C14H11Cl
Molecular Mass: 214.69014
Monoisotopic Mass: 214.05492803
SMILES and InChIs

SMILES:
c1ccc(cc1)/C=C/c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)/C=C/c1ccccc1
InChI:
InChI=1S/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKey:
TTYKTMUIQGPMMH-VOTSOKGWSA-N

Cite this record

CBID:58454 http://www.chembase.cn/molecule-58454.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-4-[(E)-2-phenylethenyl]benzene
IUPAC Traditional name
1-chloro-4-[(E)-2-phenylethenyl]benzene
Synonyms
1-Chloro-4-[(E)-2-phenylvinyl]benzene
CAS Number
4714-23-2
MDL Number
MFCD00016344
PubChem SID
162063217
PubChem CID
5376091

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 5376091 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9171314  LogD (pH = 7.4) 4.9171314 
Log P 4.9171314  Molar Refractivity 66.3176 cm3
Polarizability 25.42005 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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