[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine

C13H12ClN3O3 — CID 62244311

IUPAC[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESNNc1ccc(COc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O3/c14-10-3-1-2-4-13(10)20-8-9-5-6-11(16-15)12(7-9)17(18)19/h1-7,16H,8,15H2
InChIKeyOTSJQCYOXMLBQX-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.11
Rot. Bonds5

About [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine

[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine (PubChem CID 62244311) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
PubChem CID62244311
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESNNc1ccc(COc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O3/c14-10-3-1-2-4-13(10)20-8-9-5-6-11(16-15)12(7-9)17(18)19/h1-7,16H,8,15H2
InChIKeyOTSJQCYOXMLBQX-UHFFFAOYSA-N
XLogP3.11
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.11
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

[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 63273017
[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 116689933
[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62246559
[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244154
[4-[(3-bromophenyl)methoxymethyl]-2-nitrophenyl]hydrazine
CID 82805450
[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107660728
1,2,4-trichloro-5-[(4-chloro-3-nitrophenyl)methoxy]benzene
CID 43350426
[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
CID 79589871
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
CID 62245442
[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077
4-[(3,5-dichlorophenoxy)methyl]-N-methyl-2-nitroaniline
CID 63486562

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine (CID 62244311) is [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine is NNc1ccc(COc2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is OTSJQCYOXMLBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c14-10-3-1-2-4-13(10)20-8-9-5-6-11(16-15)12(7-9)17(18)19/h1-7,16H,8,15H2.
What are the key properties of [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine?
[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 293.71 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 62244311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).