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156333-95-8 molecular structure
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4-[(2-iodophenyl)methyl]morpholine

ChemBase ID: 88007
Molecular Formular: C11H14INO
Molecular Mass: 303.13943
Monoisotopic Mass: 303.01201207
SMILES and InChIs

SMILES:
O1CCN(Cc2ccccc2I)CC1
Canonical SMILES:
Ic1ccccc1CN1CCOCC1
InChI:
InChI=1S/C11H14INO/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKey:
UQGDUDGGMFHPIP-UHFFFAOYSA-N

Cite this record

CBID:88007 http://www.chembase.cn/molecule-88007.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2-iodophenyl)methyl]morpholine
IUPAC Traditional name
4-[(2-iodophenyl)methyl]morpholine
Synonyms
4-(2-Iodobenzyl)morpholine
CAS Number
156333-95-8
MDL Number
MFCD06797850
PubChem SID
162075047
PubChem CID
11130461

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11130461 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3743012  LogD (pH = 7.4) 2.6208336 
Log P 2.6250865  Molar Refractivity 67.0377 cm3
Polarizability 26.091217 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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