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1196151-28-6 molecular structure
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(4-formylphenyl)methanesulfonyl chloride

ChemBase ID: 814289
Molecular Formular: C8H7ClO3S
Molecular Mass: 218.65738
Monoisotopic Mass: 217.98044276
SMILES and InChIs

SMILES:
C(S(=O)(=O)Cl)c1ccc(cc1)C=O
Canonical SMILES:
O=Cc1ccc(cc1)CS(=O)(=O)Cl
InChI:
InChI=1S/C8H7ClO3S/c9-13(11,12)6-8-3-1-7(5-10)2-4-8/h1-5H,6H2
InChIKey:
TUYACRWBDYWSGY-UHFFFAOYSA-N

Cite this record

CBID:814289 http://www.chembase.cn/molecule-814289.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-formylphenyl)methanesulfonyl chloride
IUPAC Traditional name
(4-formylphenyl)methanesulfonyl chloride
Synonyms
(4-formylphenyl)methanesulfonyl chloride
CAS Number
1196151-28-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36448 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36448 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.592503  H Acceptors
H Donor LogD (pH = 5.5) 1.3941875 
LogD (pH = 7.4) 1.3941875  Log P 1.3941875 
Molar Refractivity 51.4236 cm3 Polarizability 20.209402 Å3
Polar Surface Area 51.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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