N-(3-Fluorophenyl)guanidine nitrate

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Basic information

CAS: 65783-20-2
Standard SMILES: NC(N)=Nc1cccc(F)c1.O=[N+]([O-])O
InChIKey: PUARUQQLDPRZGV-UHFFFAOYSA-N
Molecular formula: C7H9FN4O3
Average molar mass: 216.17 g/mol
Monoisotopic mass: 216.06586832

Names & identifiers

Preferred name: N-(3-Fluorophenyl)guanidine nitrate
IUPAC: 2-(3-fluorophenyl)guanidine;nitric acid

Names & synonyms

N-(3-Fluorophenyl)guanidine nitrate65783-20-21-(3-fluorophenyl)guanidine nitrate2-(3-fluorophenyl)guanidine;nitric acidguanidine, N-(3-fluorophenyl)-, nitrate (1:1)SCHEMBL1363668SCHEMBL1363670SCHEMBL6033233AKOS004910795

Database identifiers

CAS: 65783-20-2
PubChem CID: 11637114

Properties

Computed structural properties

Topological polar surface area: 130 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 179

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Compound notes

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