2-(4-Fluoro-2-nitrophenylamino)butanoic acid

HCID 19794340
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Basic information

Standard SMILES
CCC(Nc1ccc(F)cc1[N+](=O)[O-])C(=O)O
InChIKey
YSDAMUPQEPBPQB-UHFFFAOYSA-N
Molecular formula
C10H11FN2O4
Average molar mass
242.2 g/mol
Monoisotopic mass
242.070285

Names & identifiers

Preferred name
2-(4-Fluoro-2-nitrophenylamino)butanoic acid
IUPAC
2-(4-fluoro-2-nitroanilino)butanoic acid

Names & synonyms

SCHEMBL4869513YSDAMUPQEPBPQB-UHFFFAOYSA-NAKOS0058349062-(4-fluoro-2-nitrophenylamino)butanoic acid2-((4-fluoro-2-nitrophenyl)amino)butanoic acid

Database identifiers

PubChem CID
19794340

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
95.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17

Related reactions

8 records
New reaction record

Linked notes

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