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110931-86-7 molecular structure
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5-fluoronaphthalene-1-carbaldehyde

ChemBase ID: 95079
Molecular Formular: C11H7FO
Molecular Mass: 174.1710832
Monoisotopic Mass: 174.04809306
SMILES and InChIs

SMILES:
Fc1c2cccc(c2ccc1)C=O
Canonical SMILES:
O=Cc1cccc2c1cccc2F
InChI:
InChI=1S/C11H7FO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-7H
InChIKey:
JJFWJEXWKQDOJL-UHFFFAOYSA-N

Cite this record

CBID:95079 http://www.chembase.cn/molecule-95079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoronaphthalene-1-carbaldehyde
IUPAC Traditional name
5-fluoronaphthalene-1-carbaldehyde
Synonyms
5-Fluoronaphthalene-1-carboxaldehyde
1-Fluoro-5-formylnaphthalene
5-Fluoro-1-naphthaldehyde 98%
CAS Number
110931-86-7
MDL Number
MFCD09258965
PubChem SID
162081729
PubChem CID
14368708

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 14368708 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.817927  LogD (pH = 7.4) 2.817927 
Log P 2.817927  Molar Refractivity 49.3086 cm3
Polarizability 19.386225 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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