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1196155-68-6 molecular structure
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6-bromoquinoline-3-carbaldehyde

ChemBase ID: 814361
Molecular Formular: C10H6BrNO
Molecular Mass: 236.06474
Monoisotopic Mass: 234.96327582
SMILES and InChIs

SMILES:
c1cc2c(cc1Br)cc(cn2)C=O
Canonical SMILES:
O=Cc1cnc2c(c1)cc(cc2)Br
InChI:
InChI=1S/C10H6BrNO/c11-9-1-2-10-8(4-9)3-7(6-13)5-12-10/h1-6H
InChIKey:
PCHCYMZZDAUVQB-UHFFFAOYSA-N

Cite this record

CBID:814361 http://www.chembase.cn/molecule-814361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromoquinoline-3-carbaldehyde
IUPAC Traditional name
6-bromoquinoline-3-carbaldehyde
Synonyms
6-bromoquinoline-3-carbaldehyde
CAS Number
1196155-68-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36521 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.611853  LogD (pH = 7.4) 2.6121516 
Log P 2.6121554  Molar Refractivity 54.1861 cm3
Polarizability 21.546076 Å3 Polar Surface Area 29.96 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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