4-chloro-2-(chloromethoxy)-1-nitrobenzene

C7H5Cl2NO3 — CID 79529891

IUPAC4-chloro-2-(chloromethoxy)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCCl
InChIInChI=1S/C7H5Cl2NO3/c8-4-13-7-3-5(9)1-2-6(7)10(11)12/h1-3H,4H2
InChIKeySMWCGEPMRFALKU-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.82
Rot. Bonds3

About 4-chloro-2-(chloromethoxy)-1-nitrobenzene

4-chloro-2-(chloromethoxy)-1-nitrobenzene (PubChem CID 79529891) has the molecular formula C7H5Cl2NO3 and a molecular weight of 222.03 g/mol. Its IUPAC name is 4-chloro-2-(chloromethoxy)-1-nitrobenzene.

Molecular Properties

Compound Name4-chloro-2-(chloromethoxy)-1-nitrobenzene
PubChem CID79529891
Molecular FormulaC7H5Cl2NO3
Molecular Weight222.03 g/mol
Exact Mass220.96
IUPAC Name4-chloro-2-(chloromethoxy)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCCl
InChIInChI=1S/C7H5Cl2NO3/c8-4-13-7-3-5(9)1-2-6(7)10(11)12/h1-3H,4H2
InChIKeySMWCGEPMRFALKU-UHFFFAOYSA-N
XLogP2.82
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

9-(5-chloro-2-nitrophenoxy)nonane-1-thiol
CID 105344440
4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
CID 78976905
4-(5-chloro-2-nitrophenoxy)butan-2-one
CID 62306218
5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62886176
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]-1-nitrobenzene
CID 62115209
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
2-amino-3-(5-chloro-2-nitrophenoxy)propanenitrile
CID 62306389
3-(5-chloro-2-nitrophenoxy)-2-methylpropanenitrile
CID 115002720
N-[2-(5-chloro-2-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 55057809
4-chloro-2-[2-(2-methylpropoxy)ethoxy]-1-nitrobenzene
CID 106459961
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
CID 78976903

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethoxy)-1-nitrobenzene?
The IUPAC name of 4-chloro-2-(chloromethoxy)-1-nitrobenzene (CID 79529891) is 4-chloro-2-(chloromethoxy)-1-nitrobenzene.
What is the SMILES notation for 4-chloro-2-(chloromethoxy)-1-nitrobenzene?
The canonical SMILES for 4-chloro-2-(chloromethoxy)-1-nitrobenzene is O=[N+]([O-])c1ccc(Cl)cc1OCCl.
What is the InChIKey of 4-chloro-2-(chloromethoxy)-1-nitrobenzene?
The InChIKey is SMWCGEPMRFALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO3/c8-4-13-7-3-5(9)1-2-6(7)10(11)12/h1-3H,4H2.
What are the key properties of 4-chloro-2-(chloromethoxy)-1-nitrobenzene?
4-chloro-2-(chloromethoxy)-1-nitrobenzene has a molecular weight of 222.03 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethoxy)-1-nitrobenzene is sourced from PubChem (CID 79529891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).