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948294-56-2 molecular structure
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2-chloro-3-(2-chloroethyl)-7-fluoroquinoline

ChemBase ID: 805100
Molecular Formular: C11H8Cl2FN
Molecular Mass: 244.0923232
Monoisotopic Mass: 243.00178284
SMILES and InChIs

SMILES:
c1(cc2c(cc1)cc(c(n2)Cl)CCCl)F
Canonical SMILES:
ClCCc1cc2ccc(cc2nc1Cl)F
InChI:
InChI=1S/C11H8Cl2FN/c12-4-3-8-5-7-1-2-9(14)6-10(7)15-11(8)13/h1-2,5-6H,3-4H2
InChIKey:
FOEQLOJFXVXRPG-UHFFFAOYSA-N

Cite this record

CBID:805100 http://www.chembase.cn/molecule-805100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-(2-chloroethyl)-7-fluoroquinoline
IUPAC Traditional name
2-chloro-3-(2-chloroethyl)-7-fluoroquinoline
Synonyms
2-CHLORO-3-(2-CHLOROETHYL)-7-FLUOROQUINOLINE
CAS Number
948294-56-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22379 external link Add to cart
Data Source Data ID Price
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AJA-O22379 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) 3.9737248  LogD (pH = 7.4) 3.9737275 
Log P 3.9737275  Molar Refractivity 60.6837 cm3
Polarizability 23.9596 Å3 Polar Surface Area 12.89 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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