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885277-11-2 molecular structure
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3-(benzyloxy)pyridine-2-sulfonyl chloride

ChemBase ID: 811206
Molecular Formular: C12H10ClNO3S
Molecular Mass: 283.7307
Monoisotopic Mass: 283.00699187
SMILES and InChIs

SMILES:
n1c(c(ccc1)OCc1ccccc1)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)c1ncccc1OCc1ccccc1
InChI:
InChI=1S/C12H10ClNO3S/c13-18(15,16)12-11(7-4-8-14-12)17-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey:
GQCGUZBQMGLOMP-UHFFFAOYSA-N

Cite this record

CBID:811206 http://www.chembase.cn/molecule-811206.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(benzyloxy)pyridine-2-sulfonyl chloride
IUPAC Traditional name
3-(benzyloxy)pyridine-2-sulfonyl chloride
Synonyms
3-BENZYLOXY-PYRIDINE-2-SULFONYL CHLORIDE
CAS Number
885277-11-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30361 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30361 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) 2.8631358  LogD (pH = 7.4) 2.8631358 
Log P 2.8631358  Molar Refractivity 69.4846 cm3
Polarizability 27.620552 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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