9-Phenoxyacridine

HCID 100640

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2148-14-3
Standard SMILES: c1ccc(Oc2c3ccccc3nc3ccccc23)cc1
InChIKey: MFCLDPQGJMEEBE-UHFFFAOYSA-N
Molecular formula: C19H13NO
Average molar mass: 271.3 g/mol
Monoisotopic mass: 271.09971404

Names & identifiers

Preferred name: 9-Phenoxyacridine
IUPAC: 9-phenoxyacridine

Names & synonyms

9-phenoxyacridine2148-14-3Acridine, 9-phenoxy-MLS000758527NSC-3379749-(phenoxy)acridineHMS2799K18MFCD00160649NSC337974K5Q5A5UL8MBIDD:GT0441SCHEMBL455804

Show more names

CHEMBL1569496DTXSID80175760MFCLDPQGJMEEBE-UHFFFAOYSA-NAKOS017345236NSC 337974NCGC00246963-01SMR000449990

Database identifiers

CAS: 2148-14-3
PubChem CID: 100640
DTXSID: DTXSID80175760
ChEMBL: CHEMBL1569496
UNII: K5Q5A5UL8M
Nikkaji: J1.268.667F

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 316

Related reactions

9 records

New reaction record

HRID 379510As reactantuspto-grants-2001_10

HRID 618620As reactantuspto-grants-1999_09

HRID 1116419As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1600578As reactantuspto-grants-1999_11

HRID 1953790As reactantuspto-grants-2000_09

HRID 1953791As reactantuspto-grants-2000_09

HRID 1975898As reactantuspto-grants-2001_05

HRID 1975899As reactantuspto-grants-2001_05

Compound notes

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