1-(2-Fluorophenyl)-3-(5-nitro-2-pyridyl)urea
Basic information
- CAS
199460-52-1- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1ccccc1F- InChIKey
MQHATRYXFKMPQQ-UHFFFAOYSA-N- Molecular formula
- C12H9FN4O3
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.06586832
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)-3-(5-nitro-2-pyridyl)urea
- IUPAC
- 1-(2-fluorophenyl)-3-(5-nitro-2-pyridinyl)urea
- English name
- 1-(2-Fluorophenyl)-3-(5-nitro-2-pyridyl)urea
- Molecular formula
- C12H9FN4O3
- Molecular weight
- 276.22
Names & synonyms
NSC2156201-(2-fluorophenyl)-3-(5-nitro-2-pyridyl)ureaAKOS024338311NSC-215620N-(2-Fluorophenyl)-N'-(5-(hydroxy(oxido)amino)-2-pyridinyl)ureaUrea, N-(2-fluorophenyl)-N'-(5-nitro-2-pyridinyl)-
Database identifiers
- CAS
199460-52-1- PubChem CID
- 310696
- EC Number
- 118-636-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…