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1211487-94-3 molecular structure
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4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride

ChemBase ID: 309347
Molecular Formular: C11H13ClO3S
Molecular Mass: 260.73712
Monoisotopic Mass: 260.02739296
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c2c(c(cc1)OC)CCCC2)Cl
Canonical SMILES:
COc1ccc(c2c1CCCC2)S(=O)(=O)Cl
InChI:
InChI=1S/C11H13ClO3S/c1-15-10-6-7-11(16(12,13)14)9-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3
InChIKey:
QPLHMLFUSKCACK-UHFFFAOYSA-N

Cite this record

CBID:309347 http://www.chembase.cn/molecule-309347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
IUPAC Traditional name
4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
Synonyms
4-methoxy-5,6,7,8-tetrahydro-1-naphthalenesulfonyl chloride
CAS Number
1211487-94-3
MDL Number
MFCD14702901

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2141318  LogD (pH = 7.4) 3.2141318 
Log P 3.2141318  Molar Refractivity 64.1976 cm3
Polarizability 25.405428 Å3 Polar Surface Area 43.37 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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