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1216252-62-8 molecular structure
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3-[(2,4-dichlorophenyl)methoxy]pyrrolidine

ChemBase ID: 292711
Molecular Formular: C11H13Cl2NO
Molecular Mass: 246.13302
Monoisotopic Mass: 245.0374194
SMILES and InChIs

SMILES:
Clc1cc(Cl)c(COC2CCNC2)cc1
Canonical SMILES:
Clc1ccc(c(c1)Cl)COC1CNCC1
InChI:
InChI=1S/C11H13Cl2NO/c12-9-2-1-8(11(13)5-9)7-15-10-3-4-14-6-10/h1-2,5,10,14H,3-4,6-7H2
InChIKey:
IJHMQHBTIMTDJW-UHFFFAOYSA-N

Cite this record

CBID:292711 http://www.chembase.cn/molecule-292711.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[(2,4-dichlorophenyl)methoxy]pyrrolidine
IUPAC Traditional name
3-[(2,4-dichlorophenyl)methoxy]pyrrolidine
Synonyms
3-((2,4-Dichlorobenzyl)oxy)pyrrolidine
CAS Number
1216252-62-8
PubChem SID
180678242
PubChem CID
56831019

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241573 Please log in.
Data Source Data ID
PubChem 56831019 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.59324735  LogD (pH = 7.4) -0.21190792 
Log P 2.6409104  Molar Refractivity 62.5257 cm3
Polarizability 24.779247 Å3 Polar Surface Area 21.26 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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