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4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenyl ethyl hydrogen phosphate

HCID 68883304
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOP(=O)(O)Oc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1
InChIKey
RCXIXAIGHHCAPU-UHFFFAOYSA-N
Molecular formula
C20H22FN2O4P
Average molar mass
404.4 g/mol

Names & identifiers

Preferred name
4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenyl ethyl hydrogen phosphate
IUPAC
[4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenyl] ethyl hydrogen phosphate

Names & synonyms

SCHEMBL4028914RCXIXAIGHHCAPU-UHFFFAOYSA-N4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenyl ethyl hydrogen phosphate

Database identifiers

PubChem CID
68883304

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
73.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
568

Related reactions

2 records
New reaction record
HRID 156541 reaction equation
HRID 156541As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1295054 reaction equation
HRID 1295054As productuspto-grants-2007_07

Compound notes

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