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74266-68-5 molecular structure
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3-fluoro-2-methoxybenzaldehyde

ChemBase ID: 297102
Molecular Formular: C8H7FO2
Molecular Mass: 154.1383832
Monoisotopic Mass: 154.04300768
SMILES and InChIs

SMILES:
COc1c(cccc1F)C=O
Canonical SMILES:
COc1c(C=O)cccc1F
InChI:
InChI=1S/C8H7FO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3
InChIKey:
UMLOYMZBAUIGKF-UHFFFAOYSA-N

Cite this record

CBID:297102 http://www.chembase.cn/molecule-297102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-2-methoxybenzaldehyde
IUPAC Traditional name
3-fluoro-2-methoxybenzaldehyde
Synonyms
3-Fluoro-o-anisaldehyde
3-Fluoro-2-methoxybenzaldehyde
3-Fluoro-2-Methoxybenzaldehyde
3-氟-2-甲氧基苯甲醛, JRD
CAS Number
74266-68-5
MDL Number
MFCD04112486
PubChem SID
180682633
PubChem CID
12572277

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12572277 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6707789  LogD (pH = 7.4) 1.6707789 
Log P 1.6707789  Molar Refractivity 39.3216 cm3
Polarizability 14.457972 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Air Sensitive 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 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
96% expand Show data source
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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