4-Fluoro-2,6-dinitroaniline

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Basic information

CAS: 82366-44-7
Standard SMILES: Nc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-]
InChIKey: NCULVGHRNORGOV-UHFFFAOYSA-N
Molecular formula: C6H4FN3O4
Average molar mass: 201.11 g/mol
Monoisotopic mass: 201.01858383

Names & identifiers

Preferred name: 4-Fluoro-2,6-dinitroaniline
IUPAC: 4-fluoro-2,6-dinitroaniline

Names & synonyms

4-fluoro-2,6-dinitroaniline82366-44-7NSC4029754-fluoro-2,6dinitroanilineSCHEMBL7784325DTXSID70323071NCULVGHRNORGOV-UHFFFAOYSA-NMFCD24160434NSC-402975

Database identifiers

CAS: 82366-44-7
PubChem CID: 345362
DTXSID: DTXSID70323071

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 118 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 226

Related reactions

13 records

New reaction record

HRID 53802As reactantuspto-grants-1997_04

HRID 54390As reactantuspto-grants-1997_04

HRID 135568As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 439521As reactantuspto-grants-1996_05

HRID 1068596As productuspto-grants-2001_06

HRID 1068597As reactantuspto-grants-2001_06

HRID 1113341As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1600710As productuspto-grants-1999_11

Compound notes

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