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4-(7-bromo-2-methyl-2H-indazol-3-yl)-heptan-4-ol

HCID 21094589
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC(O)(CCC)c1c2cccc(Br)c2nn1C
InChIKey
DEOCFCRJJPGUKT-UHFFFAOYSA-N
Molecular formula
C15H21BrN2O
Average molar mass
325.24 g/mol

Names & identifiers

Preferred name
4-(7-bromo-2-methyl-2H-indazol-3-yl)-heptan-4-ol
IUPAC
4-(7-bromo-2-methylindazol-3-yl)heptan-4-ol

Names & synonyms

SCHEMBL3364465DEOCFCRJJPGUKT-UHFFFAOYSA-N4-(7-bromo-2-methyl-2H-indazol-3-yl)-heptan-4-ol

Database identifiers

PubChem CID
21094589

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
294

Related reactions

4 records
New reaction record
HRID 210276 reaction equation
HRID 210276As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 902553 reaction equation
HRID 902553As productuspto-grants-2008_04
HRID 902554 reaction equation
HRID 902554As reactantuspto-grants-2008_04
HRID 1215068 reaction equation
HRID 1215068As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes