2-[(2-Bromo-6-nitrophenyl)amino]ethanol

HCID 11253995

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cccc(Br)c1NCCO
InChIKey: SMLSIPPNQZWIOR-UHFFFAOYSA-N
Molecular formula: C8H9BrN2O3
Average molar mass: 261.07 g/mol

Names & identifiers

Preferred name: 2-[(2-Bromo-6-nitrophenyl)amino]ethanol
IUPAC: 2-(2-bromo-6-nitroanilino)ethanol

Names & synonyms

SCHEMBL3041310SMLSIPPNQZWIOR-UHFFFAOYSA-N2-[(2-bromo-6-nitrophenyl)amino]ethanol2-[(2-bromo-6-nitrophenyl)amino]ethan-1-ol

Database identifiers

PubChem CID: 11253995

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 198

Related reactions

8 records

New reaction record

HRID 141548As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 176312As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 812952As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1991183As productuspto-grants-2010_01

HRID 1991184As reactantuspto-grants-2010_01

HRID 1991202As reactantuspto-grants-2010_01

HRID 1991205As reactantuspto-grants-2010_01

HRID 2331113As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…