2-Trifluoromethylphenoxazine

HCID 10467321

Notes Reactions

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Basic information

CAS: 2069-57-0
Standard SMILES: FC(F)(F)c1ccc2c(c1)Nc1ccccc1O2
InChIKey: PUALOBSOZHBNKF-UHFFFAOYSA-N
Molecular formula: C13H8F3NO
Average molar mass: 251.2 g/mol
Monoisotopic mass: 251.05579854

Names & identifiers

Preferred name: 2-Trifluoromethylphenoxazine
IUPAC: 2-(trifluoromethyl)-10H-phenoxazine

Names & synonyms

2-trifluoromethylphenoxazine2069-57-0DTXSID50440412RefChem:267409DTXCID103912342-(trifluoromethyl)-10H-phenoxazine2-(trifluoromethyl)phenoxazineSCHEMBL11535935SCHEMBL29636456

Database identifiers

CAS: 2069-57-0
PubChem CID: 10467321
DTXSID: DTXSID50440412
Nikkaji: J2.482.135H

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 307

Related reactions

19 records

New reaction record

HRID 149083As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 150755As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 267921As reactantuspto-grants-1976_03

HRID 664656As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 839371As reactantuspto-grants-1978_06

HRID 839372As reactantuspto-grants-1978_06

HRID 839373As reactantuspto-grants-1978_06

HRID 1657788As reactantuspto-grants-1976_06

Compound notes

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