[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine

C12H9ClFN3O3 — CID 80918331

IUPAC[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(Oc2ccc(F)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9ClFN3O3/c13-8-6-7(14)4-5-10(8)20-11-3-1-2-9(16-15)12(11)17(18)19/h1-6,16H,15H2
InChIKeyDDQTZXSYTDMKGO-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.47
Rot. Bonds4

About [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine

[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine (PubChem CID 80918331) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
PubChem CID80918331
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(Oc2ccc(F)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9ClFN3O3/c13-8-6-7(14)4-5-10(8)20-11-3-1-2-9(16-15)12(11)17(18)19/h1-6,16H,15H2
InChIKeyDDQTZXSYTDMKGO-UHFFFAOYSA-N
XLogP3.47
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(2-chloro-5-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916452
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916758
[3-(3,4-dichlorophenoxy)-2-nitrophenyl]hydrazine
CID 80920158
1-(2-chloro-4-fluorophenoxy)-3-methylsulfonyl-2-nitrobenzene
CID 133392983
[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80911199
2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile
CID 80912334
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine
CID 80911989
3-(2,3-dichlorophenoxy)-N-methyl-2-nitroaniline
CID 80881578
[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine
CID 80909958
2-nitro-3-(2,4,5-trichlorophenoxy)aniline
CID 80863372

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine (CID 80918331) is [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine is NNc1cccc(Oc2ccc(F)cc2Cl)c1[N+](=O)[O-].
What is the InChIKey of [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine?
The InChIKey is DDQTZXSYTDMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c13-8-6-7(14)4-5-10(8)20-11-3-1-2-9(16-15)12(11)17(18)19/h1-6,16H,15H2.
What are the key properties of [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine?
[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine has a molecular weight of 297.67 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80918331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).