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MFCD08056319 molecular structure
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4-methoxythiophene-3-carbonyl chloride

ChemBase ID: 90974
Molecular Formular: C6H5ClO2S
Molecular Mass: 176.6207
Monoisotopic Mass: 175.96987808
SMILES and InChIs

SMILES:
s1cc(c(c1)C(=O)Cl)OC
Canonical SMILES:
COc1cscc1C(=O)Cl
InChI:
InChI=1S/C6H5ClO2S/c1-9-5-3-10-2-4(5)6(7)8/h2-3H,1H3
InChIKey:
HUDMFKWYFJSOLR-UHFFFAOYSA-N

Cite this record

CBID:90974 http://www.chembase.cn/molecule-90974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxythiophene-3-carbonyl chloride
IUPAC Traditional name
4-methoxythiophene-3-carbonyl chloride
Synonyms
4-Methoxythiophene-3-carbonyl chloride 95%
MDL Number
MFCD08056319
PubChem SID
162077678
PubChem CID
26967341

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6372 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967341 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.786929  LogD (pH = 7.4) 1.786929 
Log P 1.786929  Molar Refractivity 40.7417 cm3
Polarizability 15.396777 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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