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6-chloro-9-(tetrahydrofuran-2-yl)-9H-purine

HCID 239484
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
91366-99-3
Standard SMILES
Clc1ncnc2c1ncn2C1CCCO1
InChIKey
HJLOJGFANYZRDH-UHFFFAOYSA-N
Molecular formula
C9H9ClN4O
Average molar mass
224.65 g/mol
Monoisotopic mass
224.04648859

Names & identifiers

Preferred name
6-chloro-9-(tetrahydrofuran-2-yl)-9H-purine
IUPAC
6-chloro-9-(oxolan-2-yl)purine

Names & synonyms

6-chloro-9-(tetrahydrofuran-2-yl)-9H-purine91366-99-36-chloro-9-(oxolan-2-yl)purine9-Tetrahydrofuryl-6-CPAX 526-Chloro-9-(oxolan-2-yl)-9H-purine9H-Purine, 6-chloro-9-(tetrahydro-2-furyl)-SCHEMBL1998927DTXSID00286281HJLOJGFANYZRDH-UHFFFAOYSA-NNSC44578NSC-44578
Show more names
6-chloro-N9-tetrahydrofuran-2-ylpurine6-chloro-N9-tetra-hydrofuran-2-ylpurine6-chloro-9-(tetrahydrofuran-2-yl)purine6-chloro-9-(tetrahydrofuran-2-yl)-purine9H-Purine, 6-chloro-9-(tetrahydro-2-furanyl)-

Database identifiers

CAS
91366-99-3
PubChem CID
239484
DTXSID
DTXSID00286281
Nikkaji
J3.148.841I

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
52.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
242

Related reactions

12 records
New reaction record
HRID 100557 reaction equation
HRID 100557As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 678449 reaction equation
HRID 678449As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 686260 reaction equation
HRID 686260As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2036327 reaction equation
HRID 2036327As reactantuspto-grants-2013_11
HRID 2036328 reaction equation
HRID 2036328As reactantuspto-grants-2013_11
HRID 2036329 reaction equation
HRID 2036329As reactantuspto-grants-2013_11
HRID 2036330 reaction equation
HRID 2036330As reactantuspto-grants-2013_11
HRID 2152113 reaction equation
HRID 2152113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes

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