2-(2-bromophenoxy)-5-nitrobenzaldehyde

C13H8BrNO4 — CID 28888057

IUPAC2-(2-bromophenoxy)-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Br
InChIInChI=1S/C13H8BrNO4/c14-11-3-1-2-4-13(11)19-12-6-5-10(15(17)18)7-9(12)8-16/h1-8H
InChIKeyACDLATGPQBBQKL-UHFFFAOYSA-N
MW322.11 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-bromophenoxy)-5-nitrobenzaldehyde

2-(2-bromophenoxy)-5-nitrobenzaldehyde (PubChem CID 28888057) has the molecular formula C13H8BrNO4 and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-5-nitrobenzaldehyde.

Molecular Properties

Compound Name2-(2-bromophenoxy)-5-nitrobenzaldehyde
PubChem CID28888057
Molecular FormulaC13H8BrNO4
Molecular Weight322.11 g/mol
Exact Mass320.96
IUPAC Name2-(2-bromophenoxy)-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Br
InChIInChI=1S/C13H8BrNO4/c14-11-3-1-2-4-13(11)19-12-6-5-10(15(17)18)7-9(12)8-16/h1-8H
InChIKeyACDLATGPQBBQKL-UHFFFAOYSA-N
XLogP3.96
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 53.96
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-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
CID 16757272
1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
CID 62871575
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
2-(2-bromoethoxy)-5-nitrobenzaldehyde
CID 14050433
5-nitro-2-(3-phenoxypropoxy)benzaldehyde
CID 60602345
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980
chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium
CID 162435834
2-(2-formylphenyl)-5-nitrobenzaldehyde
CID 102487108
(2-formyl-5-nitrophenyl) hypobromite
CID 174599532
2-bromo-6-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 114881636
4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 61030930

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-5-nitrobenzaldehyde?
The IUPAC name of 2-(2-bromophenoxy)-5-nitrobenzaldehyde (CID 28888057) is 2-(2-bromophenoxy)-5-nitrobenzaldehyde.
What is the SMILES notation for 2-(2-bromophenoxy)-5-nitrobenzaldehyde?
The canonical SMILES for 2-(2-bromophenoxy)-5-nitrobenzaldehyde is O=Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-5-nitrobenzaldehyde?
The InChIKey is ACDLATGPQBBQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO4/c14-11-3-1-2-4-13(11)19-12-6-5-10(15(17)18)7-9(12)8-16/h1-8H.
What are the key properties of 2-(2-bromophenoxy)-5-nitrobenzaldehyde?
2-(2-bromophenoxy)-5-nitrobenzaldehyde has a molecular weight of 322.11 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-5-nitrobenzaldehyde is sourced from PubChem (CID 28888057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).