2-(5-Fluoro-2-nitroanilino)butanoic acid

HCID 62375713
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Basic information

Standard SMILES
CCC(Nc1cc(F)ccc1[N+](=O)[O-])C(=O)O
InChIKey
ZTFUGXRPZHFHQI-UHFFFAOYSA-N
Molecular formula
C10H11FN2O4
Average molar mass
242.2 g/mol
Monoisotopic mass
242.070285

Names & identifiers

Preferred name
2-(5-Fluoro-2-nitroanilino)butanoic acid
IUPAC
2-(5-fluoro-2-nitroanilino)butanoic acid

Names & synonyms

SCHEMBL4868077AKOS011662035

Database identifiers

PubChem CID
62375713

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

2 records
New reaction record

Compound notes

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