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4-((4-Bromo-5-chlorothiophen-2-yl)methyl)morpholine

HCID 22397243
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Clc1sc(CN2CCOCC2)cc1Br
InChIKey
RFNNTDCPBMZKAH-UHFFFAOYSA-N
Molecular formula
C9H11BrClNOS
Average molar mass
296.61 g/mol
Monoisotopic mass
294.94333

Names & identifiers

Preferred name
4-((4-Bromo-5-chlorothiophen-2-yl)methyl)morpholine
IUPAC
4-[(4-bromo-5-chlorothiophen-2-yl)methyl]morpholine

Names & synonyms

4-((4-Bromo-5-chlorothiophen-2-yl)methyl)morpholine390360-91-5SCHEMBL6283242RFNNTDCPBMZKAH-UHFFFAOYSA-NDB-4119994-((4-Bromo-5-chloro-2-thienyl)methyl)morpholine4-[(4-bromo-5-chloro-2-thienyl)methyl]-MorpholineA1-35397

Database identifiers

PubChem CID
22397243

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
40.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
192

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Related reactions

7 records
New reaction record
HRID 411242 reaction equation
HRID 411242As productuspto-grants-2003_05
HRID 411243 reaction equation
HRID 411243As reactantuspto-grants-2003_05
HRID 1070660 reaction equation
HRID 1070660As productuspto-grants-2005_06
HRID 1070661 reaction equation
HRID 1070661As reactantuspto-grants-2005_06
HRID 1542042 reaction equation
HRID 1542042As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2307298 reaction equation
HRID 2307298As productuspto-grants-2004_12
HRID 2321857 reaction equation
HRID 2321857As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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