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91179-11-2 molecular structure
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5-methoxy-2,4-dimethylbenzene-1-sulfonyl chloride

ChemBase ID: 309375
Molecular Formular: C9H11ClO3S
Molecular Mass: 234.69984
Monoisotopic Mass: 234.01174289
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(c(cc1C)C)OC)Cl
Canonical SMILES:
COc1cc(c(cc1C)C)S(=O)(=O)Cl
InChI:
InChI=1S/C9H11ClO3S/c1-6-4-7(2)9(14(10,11)12)5-8(6)13-3/h4-5H,1-3H3
InChIKey:
AMZJHRQSVQIDBS-UHFFFAOYSA-N

Cite this record

CBID:309375 http://www.chembase.cn/molecule-309375.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-2,4-dimethylbenzene-1-sulfonyl chloride
IUPAC Traditional name
5-methoxy-2,4-dimethylbenzenesulfonyl chloride
Synonyms
5-methoxy-2,4-dimethylbenzenesulfonyl chloride
CAS Number
91179-11-2
MDL Number
MFCD12402640

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) 2.7887204  LogD (pH = 7.4) 2.7887204 
Log P 2.7887204  Molar Refractivity 56.7978 cm3
Polarizability 22.463802 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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