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84400-99-7 molecular structure
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7-chlorofuro[2,3-c]pyridine

ChemBase ID: 63773
Molecular Formular: C7H4ClNO
Molecular Mass: 153.56576
Monoisotopic Mass: 152.99814143
SMILES and InChIs

SMILES:
n1ccc2c(c1Cl)occ2
Canonical SMILES:
Clc1nccc2c1occ2
InChI:
InChI=1S/C7H4ClNO/c8-7-6-5(1-3-9-7)2-4-10-6/h1-4H
InChIKey:
YJUYPLVLAHBYCM-UHFFFAOYSA-N

Cite this record

CBID:63773 http://www.chembase.cn/molecule-63773.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chlorofuro[2,3-c]pyridine
IUPAC Traditional name
7-chlorofuro[2,3-c]pyridine
Synonyms
7-Chlorofuro[2,3-c]pyridine
CAS Number
84400-99-7
MDL Number
MFCD09834947
PubChem SID
162029512
PubChem CID
12826107

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069098 external link Add to cart Please log in.
Data Source Data ID
PubChem 12826107 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7389103  LogD (pH = 7.4) 1.7389185 
Log P 1.7389187  Molar Refractivity 38.6083 cm3
Polarizability 15.768377 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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