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1243250-22-7 molecular structure
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3-(methoxymethyl)piperidine-1-sulfonyl chloride

ChemBase ID: 309326
Molecular Formular: C7H14ClNO3S
Molecular Mass: 227.70896
Monoisotopic Mass: 227.03829199
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CC(COC)CCC1)Cl
Canonical SMILES:
COCC1CCCN(C1)S(=O)(=O)Cl
InChI:
InChI=1S/C7H14ClNO3S/c1-12-6-7-3-2-4-9(5-7)13(8,10)11/h7H,2-6H2,1H3
InChIKey:
LTPIHPPQDGDSLR-UHFFFAOYSA-N

Cite this record

CBID:309326 http://www.chembase.cn/molecule-309326.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(methoxymethyl)piperidine-1-sulfonyl chloride
IUPAC Traditional name
3-(methoxymethyl)piperidine-1-sulfonyl chloride
Synonyms
3-(methoxymethyl)-1-piperidinesulfonyl chloride
CAS Number
1243250-22-7
MDL Number
MFCD17078869

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.25966406  LogD (pH = 7.4) 0.25966406 
Log P 0.25966406  Molar Refractivity 51.866 cm3
Polarizability 20.938513 Å3 Polar Surface Area 46.61 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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