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1104895-64-8 molecular structure
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3-amino-5-chloro-2,3-dihydro-1H-indol-2-one

ChemBase ID: 307086
Molecular Formular: C8H7ClN2O
Molecular Mass: 182.60698
Monoisotopic Mass: 182.02469053
SMILES and InChIs

SMILES:
C1(=O)Nc2c(C1N)cc(cc2)Cl
Canonical SMILES:
O=C1Nc2c(C1N)cc(cc2)Cl
InChI:
InChI=1S/C8H7ClN2O/c9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-3,7H,10H2,(H,11,12)
InChIKey:
FNQAGSCDABCRHM-UHFFFAOYSA-N

Cite this record

CBID:307086 http://www.chembase.cn/molecule-307086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-5-chloro-2,3-dihydro-1H-indol-2-one
IUPAC Traditional name
3-amino-5-chloro-1,3-dihydroindol-2-one
Synonyms
3-amino-5-chloro-1,3-dihydro-2H-indol-2-one
CAS Number
1104895-64-8
MDL Number
MFCD09733251

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.024825  LogD (pH = 7.4) 0.5510405 
Log P 0.85405463  Molar Refractivity 47.3854 cm3
Polarizability 17.88836 Å3 Polar Surface Area 55.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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