2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde

C13H7BrClNO4 — CID 65431300

IUPAC2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H7BrClNO4/c14-8-4-5-13(11(6-8)16(18)19)20-12-3-1-2-10(15)9(12)7-17/h1-7H
InChIKeyNNOBUBFMRSBGFS-UHFFFAOYSA-N
MW356.56 g/mol
LogP4.62
Rot. Bonds4

About 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde

2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde (PubChem CID 65431300) has the molecular formula C13H7BrClNO4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde
PubChem CID65431300
Molecular FormulaC13H7BrClNO4
Molecular Weight356.56 g/mol
Exact Mass354.92
IUPAC Name2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H7BrClNO4/c14-8-4-5-13(11(6-8)16(18)19)20-12-3-1-2-10(15)9(12)7-17/h1-7H
InChIKeyNNOBUBFMRSBGFS-UHFFFAOYSA-N
XLogP4.62
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 54.62
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

2-(4-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
1-(4-bromo-2-chlorophenoxy)-2,4-dinitrobenzene
CID 9311080
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
2-(4-bromo-2-nitrophenoxy)-5-chloro-1,3-dimethylbenzene
CID 63463836
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
2-(4-bromo-2-nitrophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688285
1-(4-bromo-2-chlorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 28964890
1-(4-bromo-2-chlorophenoxy)-4-(bromomethyl)-2-nitrobenzene
CID 107087421
2-(4-bromo-2-methylphenoxy)-1-chloro-3-nitrobenzene
CID 114062733
5-bromo-2-(4-bromo-2-nitrophenoxy)benzonitrile
CID 114891071
2-(4-bromo-2-nitrophenoxy)-4-chloro-1-(chloromethyl)benzene
CID 114847132

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde?
The IUPAC name of 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde (CID 65431300) is 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde.
What is the SMILES notation for 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde?
The canonical SMILES for 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde is O=Cc1c(Cl)cccc1Oc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde?
The InChIKey is NNOBUBFMRSBGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNO4/c14-8-4-5-13(11(6-8)16(18)19)20-12-3-1-2-10(15)9(12)7-17/h1-7H.
What are the key properties of 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde?
2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde has a molecular weight of 356.56 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde is sourced from PubChem (CID 65431300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).