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1060802-34-7 molecular structure
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4-chloro-5-fluoropyridine-3-carbaldehyde

ChemBase ID: 814995
Molecular Formular: C6H3ClFNO
Molecular Mass: 159.5455232
Monoisotopic Mass: 158.98871962
SMILES and InChIs

SMILES:
c1(c(cncc1F)C=O)Cl
Canonical SMILES:
O=Cc1cncc(c1Cl)F
InChI:
InChI=1S/C6H3ClFNO/c7-6-4(3-10)1-9-2-5(6)8/h1-3H
InChIKey:
BQRNVJRDXKKHRB-UHFFFAOYSA-N

Cite this record

CBID:814995 http://www.chembase.cn/molecule-814995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-5-fluoropyridine-3-carbaldehyde
IUPAC Traditional name
4-chloro-5-fluoropyridine-3-carbaldehyde
Synonyms
4-chloro-5-fluoronicotinaldehyde
CAS Number
1060802-34-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37240 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37240 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2148094  LogD (pH = 7.4) 1.2148222 
Log P 1.2148223  Molar Refractivity 35.5063 cm3
Polarizability 13.083859 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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