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6-iodo-1-(3-methoxypropyl)-1H-indazole

HCID 59630971
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCCn1ncc2ccc(I)cc21
InChIKey
WTHXDNYEKWPHIC-UHFFFAOYSA-N
Molecular formula
C11H13IN2O
Average molar mass
316.14 g/mol

Names & identifiers

Preferred name
6-iodo-1-(3-methoxypropyl)-1H-indazole
IUPAC
6-iodo-1-(3-methoxypropyl)indazole

Names & synonyms

SCHEMBL3779615WTHXDNYEKWPHIC-UHFFFAOYSA-NAKOS0183436586-iodo-1-(3-methoxypropyl)-1H-indazole

Database identifiers

PubChem CID
59630971

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
27.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
203

Related reactions

2 records
New reaction record
HRID 660393 reaction equation
HRID 660393As reactantuspto-grants-2011_12
HRID 1202009 reaction equation
HRID 1202009As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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