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1060801-83-3 molecular structure
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5-methoxypyridine-2-sulfonyl chloride

ChemBase ID: 814968
Molecular Formular: C6H6ClNO3S
Molecular Mass: 207.63474
Monoisotopic Mass: 206.97569174
SMILES and InChIs

SMILES:
n1c(ccc(c1)OC)S(=O)(=O)Cl
Canonical SMILES:
COc1ccc(nc1)S(=O)(=O)Cl
InChI:
InChI=1S/C6H6ClNO3S/c1-11-5-2-3-6(8-4-5)12(7,9)10/h2-4H,1H3
InChIKey:
QMQIGRMQXRYLQV-UHFFFAOYSA-N

Cite this record

CBID:814968 http://www.chembase.cn/molecule-814968.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxypyridine-2-sulfonyl chloride
IUPAC Traditional name
5-methoxypyridine-2-sulfonyl chloride
Synonyms
5-methoxypyridine-2-sulfonyl chloride
CAS Number
1060801-83-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37210 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37210 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) 1.1386627  LogD (pH = 7.4) 1.1386627 
Log P 1.1386627  Molar Refractivity 44.872 cm3
Polarizability 18.147137 Å3 Polar Surface Area 56.26 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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