5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde

C13H7Cl2NO4 — CID 107717215

IUPAC5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl2NO4/c14-9-4-5-12(8(6-9)7-17)20-13-10(15)2-1-3-11(13)16(18)19/h1-7H
InChIKeyLVCUMJNOIGNPFT-UHFFFAOYSA-N
MW312.11 g/mol
LogP4.51
Rot. Bonds4

About 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde

5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde (PubChem CID 107717215) has the molecular formula C13H7Cl2NO4 and a molecular weight of 312.11 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
PubChem CID107717215
Molecular FormulaC13H7Cl2NO4
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl2NO4/c14-9-4-5-12(8(6-9)7-17)20-13-10(15)2-1-3-11(13)16(18)19/h1-7H
InChIKeyLVCUMJNOIGNPFT-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

3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717213
[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
CID 107717651
[4-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanol
CID 107717309
1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
2-(2-fluoro-6-nitrophenoxy)benzaldehyde
CID 104831883
2-(4-bromo-2-methylphenoxy)-1-chloro-3-nitrobenzene
CID 114062733
5-chloro-2-naphthalen-1-yloxybenzaldehyde
CID 114844762
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide
CID 2798123

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde?
The IUPAC name of 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde (CID 107717215) is 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde is O=Cc1cc(Cl)ccc1Oc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde?
The InChIKey is LVCUMJNOIGNPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO4/c14-9-4-5-12(8(6-9)7-17)20-13-10(15)2-1-3-11(13)16(18)19/h1-7H.
What are the key properties of 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde?
5-chloro-2-(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 5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 107717215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).