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1060804-18-3 molecular structure
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3-cyanopyridine-4-sulfonyl chloride

ChemBase ID: 815024
Molecular Formular: C6H3ClN2O2S
Molecular Mass: 202.61822
Monoisotopic Mass: 201.96037603
SMILES and InChIs

SMILES:
n1cc(c(cc1)S(=O)(=O)Cl)C#N
Canonical SMILES:
N#Cc1cnccc1S(=O)(=O)Cl
InChI:
InChI=1S/C6H3ClN2O2S/c7-12(10,11)6-1-2-9-4-5(6)3-8/h1-2,4H
InChIKey:
AGSGEANMDKNVPX-UHFFFAOYSA-N

Cite this record

CBID:815024 http://www.chembase.cn/molecule-815024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-cyanopyridine-4-sulfonyl chloride
IUPAC Traditional name
3-cyanopyridine-4-sulfonyl chloride
Synonyms
3-cyanopyridine-4-sulfonyl chloride
CAS Number
1060804-18-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37273 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37273 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) 0.5579726  LogD (pH = 7.4) 0.5579726 
Log P 0.5579726  Molar Refractivity 43.8169 cm3
Polarizability 17.449263 Å3 Polar Surface Area 70.82 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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