3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde

C13H7Cl2NO4 — CID 107717213

IUPAC3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7Cl2NO4/c14-9-2-1-3-11(16(18)19)13(9)20-12-5-4-8(7-17)6-10(12)15/h1-7H
InChIKeyWTALCEXOFUGPGA-UHFFFAOYSA-N
MW312.11 g/mol
LogP4.51
Rot. Bonds4

About 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde

3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde (PubChem CID 107717213) has the molecular formula C13H7Cl2NO4 and a molecular weight of 312.11 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
PubChem CID107717213
Molecular FormulaC13H7Cl2NO4
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7Cl2NO4/c14-9-2-1-3-11(16(18)19)13(9)20-12-5-4-8(7-17)6-10(12)15/h1-7H
InChIKeyWTALCEXOFUGPGA-UHFFFAOYSA-N
XLogP4.51
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
3-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
3-chloro-4-(3-nitrophenoxy)benzaldehyde
CID 81151682
4-(2,6-dimethylphenoxy)-3-nitrobenzaldehyde
CID 28951798
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
3-chloro-4-(2-fluoro-4-nitrophenoxy)benzaldehyde
CID 47453575
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974
2-(4-bromo-2-methylphenoxy)-1-chloro-3-nitrobenzene
CID 114062733
[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
CID 107717651
4-(2,6-dichloro-4-nitrophenoxy)-3-fluorobenzaldehyde
CID 62098122
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
3,5-dichloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 4770149

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde?
The IUPAC name of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde (CID 107717213) is 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde?
The canonical SMILES for 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde is O=Cc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde?
The InChIKey is WTALCEXOFUGPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO4/c14-9-2-1-3-11(16(18)19)13(9)20-12-5-4-8(7-17)6-10(12)15/h1-7H.
What are the key properties of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde?
3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde has a molecular weight of 312.11 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 107717213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).