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934570-51-1 molecular structure
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4-(3-bromothiophen-2-yl)benzaldehyde

ChemBase ID: 101498
Molecular Formular: C11H7BrOS
Molecular Mass: 267.14168
Monoisotopic Mass: 265.94009784
SMILES and InChIs

SMILES:
c1(c(ccs1)Br)c1ccc(C=O)cc1
Canonical SMILES:
O=Cc1ccc(cc1)c1sccc1Br
InChI:
InChI=1S/C11H7BrOS/c12-10-5-6-14-11(10)9-3-1-8(7-13)2-4-9/h1-7H
InChIKey:
BTYZFUJFFBNJTP-UHFFFAOYSA-N

Cite this record

CBID:101498 http://www.chembase.cn/molecule-101498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-bromothiophen-2-yl)benzaldehyde
IUPAC Traditional name
4-(3-bromothiophen-2-yl)benzaldehyde
Synonyms
4-(3-bromothien-2-yl)benzaldehyde
CAS Number
934570-51-1
MDL Number
MFCD09879968
PubChem SID
162088833
PubChem CID
24229751

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 24229751 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8788743  LogD (pH = 7.4) 3.8788743 
Log P 3.8788743  Molar Refractivity 62.2909 cm3
Polarizability 24.547503 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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