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2132-70-9 molecular structure
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1-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

ChemBase ID: 158788
Molecular Formular: C16H14Cl2O2
Molecular Mass: 309.18716
Monoisotopic Mass: 308.03708505
SMILES and InChIs

SMILES:
COc1ccc(cc1)C(=C(Cl)Cl)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)C(=C(Cl)Cl)c1ccc(cc1)OC
InChI:
InChI=1S/C16H14Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKey:
YCRYSVKEWAWTGI-UHFFFAOYSA-N

Cite this record

CBID:158788 http://www.chembase.cn/molecule-158788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
IUPAC Traditional name
DMDE
Synonyms
p,p′-Methoxychlor-olefin
p,p′-甲氧氯-烯烃
CAS Number
2132-70-9
MDL Number
MFCD00155432
PubChem SID
162252923
PubChem CID
75048

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 75048 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5821323  LogD (pH = 7.4) 4.5821323 
Log P 4.5821323  Molar Refractivity 102.623 cm3
Polarizability 32.133106 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Grade
analytical standard expand Show data source
Packaging
ampule of 50 mg expand Show data source
Empirical Formula (Hill Notation)
C16H14Cl2O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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