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20146-59-2 molecular structure
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4-chloro-1,2-dihydroquinolin-2-one

ChemBase ID: 306522
Molecular Formular: C9H6ClNO
Molecular Mass: 179.60304
Monoisotopic Mass: 179.0137915
SMILES and InChIs

SMILES:
c1c(c2c([nH]c1=O)cccc2)Cl
Canonical SMILES:
O=c1cc(Cl)c2c([nH]1)cccc2
InChI:
InChI=1S/C9H6ClNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H,11,12)
InChIKey:
YJXTZWWKNXVRHA-UHFFFAOYSA-N

Cite this record

CBID:306522 http://www.chembase.cn/molecule-306522.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-1,2-dihydroquinolin-2-one
IUPAC Traditional name
4-chloro-1H-quinolin-2-one
Synonyms
4-chloro-2(1H)-quinolinone
CAS Number
20146-59-2
MDL Number
MFCD00234492

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7512054  LogD (pH = 7.4) 1.7512048 
Log P 1.7512054  Molar Refractivity 49.9954 cm3
Polarizability 17.985382 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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