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

C13H12ClN3O3 — CID 80916758

IUPAC[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
SMILESCc1cc(Cl)ccc1Oc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O3/c1-8-7-9(14)5-6-11(8)20-12-4-2-3-10(16-15)13(12)17(18)19/h2-7,16H,15H2,1H3
InChIKeyVWXQCAAWIZOQDC-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.63
Rot. Bonds4

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

[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine (PubChem CID 80916758) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
PubChem CID80916758
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
SMILESCc1cc(Cl)ccc1Oc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O3/c1-8-7-9(14)5-6-11(8)20-12-4-2-3-10(16-15)13(12)17(18)19/h2-7,16H,15H2,1H3
InChIKeyVWXQCAAWIZOQDC-UHFFFAOYSA-N
XLogP3.63
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.63
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-(4-chloro-2-methylphenoxy)-N-ethyl-2-nitroaniline
CID 80865072
[3-(2-chloro-5-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916452
[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80911199
[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
CID 80918331
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
[3-(3,4-dichlorophenoxy)-2-nitrophenyl]hydrazine
CID 80920158
[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80917047
[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine
CID 80911989
1-[5-chloro-2-(3-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 114856783
2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile
CID 80912334
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
3-(2,3-dichlorophenoxy)-N-methyl-2-nitroaniline
CID 80881578

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine (CID 80916758) is [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine is Cc1cc(Cl)ccc1Oc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine?
The InChIKey is VWXQCAAWIZOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-8-7-9(14)5-6-11(8)20-12-4-2-3-10(16-15)13(12)17(18)19/h2-7,16H,15H2,1H3.
What are the key properties of [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine?
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine has a molecular weight of 293.71 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80916758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).