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

C13H7Cl2NO4 — CID 86227851

IUPAC4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl2NO4/c14-9-2-1-8(7-17)13(5-9)20-10-3-4-11(15)12(6-10)16(18)19/h1-7H
InChIKeyHEUOHKANMBGYIG-UHFFFAOYSA-N
MW312.11 g/mol
LogP4.51
Rot. Bonds4

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

4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde (PubChem CID 86227851) has the molecular formula C13H7Cl2NO4 and a molecular weight of 312.11 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
PubChem CID86227851
Molecular FormulaC13H7Cl2NO4
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl2NO4/c14-9-2-1-8(7-17)13(5-9)20-10-3-4-11(15)12(6-10)16(18)19/h1-7H
InChIKeyHEUOHKANMBGYIG-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-formylphenyl) nitrate
CID 174612607
3-(5-chloro-2-nitrophenoxy)benzaldehyde
CID 63944247
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
CID 63093764
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
4-(3-chloro-4-fluorophenoxy)-3-nitrobenzaldehyde
CID 9281846
4-(4-chloro-3-fluorophenoxy)-3-nitrobenzaldehyde
CID 82716350
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
(4-chloro-3-nitrophenyl) carbamate
CID 175197742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde?
The IUPAC name of 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde (CID 86227851) is 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde?
The canonical SMILES for 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde is O=Cc1ccc(Cl)cc1Oc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde?
The InChIKey is HEUOHKANMBGYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO4/c14-9-2-1-8(7-17)13(5-9)20-10-3-4-11(15)12(6-10)16(18)19/h1-7H.
What are the key properties of 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde?
4-chloro-2-(4-chloro-3-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 4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 86227851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).