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71795-72-7 molecular structure
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2-bromo-4,5-dimethylbenzene-1-sulfonyl chloride

ChemBase ID: 309437
Molecular Formular: C8H8BrClO2S
Molecular Mass: 283.56992
Monoisotopic Mass: 281.91169018
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(c(cc1Br)C)C)Cl
Canonical SMILES:
Cc1cc(Br)c(cc1C)S(=O)(=O)Cl
InChI:
InChI=1S/C8H8BrClO2S/c1-5-3-7(9)8(4-6(5)2)13(10,11)12/h3-4H,1-2H3
InChIKey:
LOSWVTPOIIAILQ-UHFFFAOYSA-N

Cite this record

CBID:309437 http://www.chembase.cn/molecule-309437.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4,5-dimethylbenzene-1-sulfonyl chloride
IUPAC Traditional name
2-bromo-4,5-dimethylbenzenesulfonyl chloride
Synonyms
2-bromo-4,5-dimethylbenzenesulfonyl chloride
CAS Number
71795-72-7
MDL Number
MFCD14702917

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) 3.7151442  LogD (pH = 7.4) 3.7151442 
Log P 3.7151442  Molar Refractivity 57.9574 cm3
Polarizability 22.871393 Å3 Polar Surface Area 34.14 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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