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31270-80-1 molecular structure
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4-chlorofuro[3,2-c]pyridine

ChemBase ID: 68489
Molecular Formular: C7H4ClNO
Molecular Mass: 153.56576
Monoisotopic Mass: 152.99814143
SMILES and InChIs

SMILES:
c1(c2c(ccn1)occ2)Cl
Canonical SMILES:
Clc1nccc2c1cco2
InChI:
InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey:
OPFFYLJLHPZSEO-UHFFFAOYSA-N

Cite this record

CBID:68489 http://www.chembase.cn/molecule-68489.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chlorofuro[3,2-c]pyridine
IUPAC Traditional name
4-chlorofuro[3,2-c]pyridine
Synonyms
4-Chlorofuro[3,2-c]pyridine
CAS Number
31270-80-1
MDL Number
MFCD02179768
PubChem SID
162034220
PubChem CID
2779746

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7389158  LogD (pH = 7.4) 1.7389187 
Log P 1.7389187  Molar Refractivity 38.6083 cm3
Polarizability 15.751067 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
32 - 34°C expand Show data source
40-42°C expand Show data source
Hydrophobicity(logP)
2.002 expand Show data source
Storage Warning
IRRITANT 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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