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66742-56-1 molecular structure
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4-[(3,4-dichlorophenyl)methoxy]benzaldehyde

ChemBase ID: 26157
Molecular Formular: C14H10Cl2O2
Molecular Mass: 281.134
Monoisotopic Mass: 280.00578492
SMILES and InChIs

SMILES:
c1(c(ccc(c1)COc1ccc(C=O)cc1)Cl)Cl
Canonical SMILES:
O=Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl
InChI:
InChI=1S/C14H10Cl2O2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-8H,9H2
InChIKey:
IBSVCXCLEDNCTC-UHFFFAOYSA-N

Cite this record

CBID:26157 http://www.chembase.cn/molecule-26157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
IUPAC Traditional name
4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
Synonyms
4-[(3,4-Dichlorobenzyl)oxy]benzenecarbaldehyde
4-[(3,4-Dichlorobenzyl)oxy]benzaldehyde
4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CAS Number
66742-56-1
MDL Number
MFCD00173652
PubChem SID
160989464
PubChem CID
735861

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4606395  LogD (pH = 7.4) 4.4606395 
Log P 4.4606395  Molar Refractivity 73.3274 cm3
Polarizability 28.10657 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
92-93°C expand Show data source
Hydrophobicity(logP)
4.853 expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
TECH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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