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610277-83-3 molecular structure
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4-(2-methylphenoxy)benzene-1-sulfonyl chloride

ChemBase ID: 75403
Molecular Formular: C13H11ClO3S
Molecular Mass: 282.74264
Monoisotopic Mass: 282.01174289
SMILES and InChIs

SMILES:
O(c1ccc(cc1)S(=O)(=O)Cl)c1ccccc1C
Canonical SMILES:
Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)Cl
InChI:
InChI=1S/C13H11ClO3S/c1-10-4-2-3-5-13(10)17-11-6-8-12(9-7-11)18(14,15)16/h2-9H,1H3
InChIKey:
IJPKGMOVNZHZKZ-UHFFFAOYSA-N

Cite this record

CBID:75403 http://www.chembase.cn/molecule-75403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-methylphenoxy)benzene-1-sulfonyl chloride
IUPAC Traditional name
4-(2-methylphenoxy)benzenesulfonyl chloride
Synonyms
4-(2-Methylphenoxy)benzenesulphonyl chloride
4-(2-methylphenoxy)benzenesulfonyl chloride
CAS Number
610277-83-3
MDL Number
MFCD01631900
PubChem SID
162040321
PubChem CID
2794712

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794712 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9332573  LogD (pH = 7.4) 3.9332573 
Log P 3.9332573  Molar Refractivity 71.5342 cm3
Polarizability 28.452978 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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