6-bromo-5-(2-fluoro-4-nitrophenoxy)-1H-indazole

HCID 66767153

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(Oc2cc3cn[nH]c3cc2Br)c(F)c1
InChIKey: HHWVMMFGSBICIO-UHFFFAOYSA-N
Molecular formula: C13H7BrFN3O3
Average molar mass: 352.11 g/mol

Names & identifiers

Preferred name: 6-bromo-5-(2-fluoro-4-nitrophenoxy)-1H-indazole
IUPAC: 6-bromo-5-(2-fluoro-4-nitrophenoxy)-1H-indazole

Names & synonyms

6-bromo-5-(2-fluoro-4-nitrophenoxy)-1H-indazole1206800-19-2starbld0045656SCHEMBL680304HHWVMMFGSBICIO-UHFFFAOYSA-NDB-169797

Database identifiers

PubChem CID: 66767153

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 83.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 397

Related reactions

8 records

New reaction record

HRID 148237As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1661971As productuspto-grants-2011_10

HRID 1661972As reactantuspto-grants-2011_10

HRID 1662008As productuspto-grants-2011_10

HRID 2130720As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2195487As productuspto-grants-2012_12

HRID 2195488As reactantuspto-grants-2012_12

HRID 2195524As productuspto-grants-2012_12

Compound notes

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