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73568-35-1 molecular structure
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6-bromo-2-chloroquinoline-3-carbaldehyde

ChemBase ID: 806211
Molecular Formular: C10H5BrClNO
Molecular Mass: 270.5098
Monoisotopic Mass: 268.92430347
SMILES and InChIs

SMILES:
c1cc2c(cc1Br)cc(c(n2)Cl)C=O
Canonical SMILES:
O=Cc1cc2cc(Br)ccc2nc1Cl
InChI:
InChI=1S/C10H5BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
InChIKey:
DCZCMZVZWKXJAF-UHFFFAOYSA-N

Cite this record

CBID:806211 http://www.chembase.cn/molecule-806211.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-chloroquinoline-3-carbaldehyde
IUPAC Traditional name
6-bromo-2-chloroquinoline-3-carbaldehyde
Synonyms
6-BROMO-2-CHLOROQUINOLINE-3-CARBOXALDEHYDE
CAS Number
73568-35-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23615 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23615 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4363773  LogD (pH = 7.4) 3.4363773 
Log P 3.4363773  Molar Refractivity 60.0522 cm3
Polarizability 23.558863 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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