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202925-07-3 molecular structure
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2-chloro-1-fluoro-4-methoxybenzene

ChemBase ID: 97158
Molecular Formular: C7H6ClFO
Molecular Mass: 160.5733432
Monoisotopic Mass: 160.00912071
SMILES and InChIs

SMILES:
O(c1cc(c(cc1)F)Cl)C
Canonical SMILES:
COc1ccc(c(c1)Cl)F
InChI:
InChI=1S/C7H6ClFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey:
RWKKEILFRAYSDQ-UHFFFAOYSA-N

Cite this record

CBID:97158 http://www.chembase.cn/molecule-97158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1-fluoro-4-methoxybenzene
IUPAC Traditional name
2-chloro-1-fluoro-4-methoxybenzene
Synonyms
3-Chloro-4-fluoroanisole 98%
3-Chloro-4-fluoroanisole
3-氯-4-氟苯甲醚
CAS Number
202925-07-3
MDL Number
MFCD00070778
PubChem SID
162083771
PubChem CID
2773585

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2773585 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5623212  LogD (pH = 7.4) 2.5623212 
Log P 2.5623212  Molar Refractivity 37.5424 cm3
Polarizability 14.482411 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
189°C expand Show data source
Flash Point
79°C(175°F) expand Show data source
Density
1.265 expand Show data source
Refractive Index
1.515 expand Show data source
1.5150 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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