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924304-73-4 molecular structure
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4-chloro-2,3-dihydro-1H-isoindole hydrochloride

ChemBase ID: 289295
Molecular Formular: C8H9Cl2N
Molecular Mass: 190.06976
Monoisotopic Mass: 189.01120465
SMILES and InChIs

SMILES:
Clc1cccc2c1CNC2.Cl
Canonical SMILES:
Clc1cccc2c1CNC2.Cl
InChI:
InChI=1S/C8H8ClN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
InChIKey:
BHGGKDRWZHDWRI-UHFFFAOYSA-N

Cite this record

CBID:289295 http://www.chembase.cn/molecule-289295.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2,3-dihydro-1H-isoindole hydrochloride
IUPAC Traditional name
4-chloro-2,3-dihydro-1H-isoindole hydrochloride
Synonyms
4-Chloroisoindoline hydrochloride
CAS Number
924304-73-4
MDL Number
MFCD11110370
PubChem SID
180674826
PubChem CID
42609644

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD218473 Please log in.
Data Source Data ID
PubChem 42609644 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.97363657  LogD (pH = 7.4) 0.6706857 
Log P 1.8868666  Molar Refractivity 42.6654 cm3
Polarizability 16.664246 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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