2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde

C8H5Br2NO4 — CID 62032902

IUPAC2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde
SMILESO=CCOc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H5Br2NO4/c9-6-3-5(11(13)14)4-7(10)8(6)15-2-1-12/h1,3-4H,2H2
InChIKeyDDJMWGJSEYFNQG-UHFFFAOYSA-N
MW338.94 g/mol
LogP2.70
Rot. Bonds4

About 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde

2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde (PubChem CID 62032902) has the molecular formula C8H5Br2NO4 and a molecular weight of 338.94 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde
PubChem CID62032902
Molecular FormulaC8H5Br2NO4
Molecular Weight338.94 g/mol
Exact Mass336.86
IUPAC Name2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde
SMILESO=CCOc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H5Br2NO4/c9-6-3-5(11(13)14)4-7(10)8(6)15-2-1-12/h1,3-4H,2H2
InChIKeyDDJMWGJSEYFNQG-UHFFFAOYSA-N
XLogP2.70
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.94
LogP ≤ 52.70
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

(E)-4-(2,6-dibromo-4-nitrophenoxy)but-2-enoic acid
CID 55065186
2-(2,6-dibromo-4-nitrophenoxy)acetonitrile
CID 53211610
3-(2,6-dibromo-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 62098666
4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
CID 55212631
2-chloro-3-(2,6-dibromo-4-nitrophenoxy)propanoic acid
CID 113398047
1,3-dibromo-2-(2,2-diethoxyethoxy)-5-nitrobenzene
CID 63629439
1-cyclopropyl-2-(2,6-dibromo-4-nitrophenoxy)ethanone
CID 63906260
1-bromo-3-(chloromethyl)-2-methoxy-5-nitrobenzene
CID 171007712
2-(2-chloro-5-nitrophenoxy)acetaldehyde
CID 63990784
2-amino-3-(2,6-dibromo-4-nitrophenoxy)-2-methylpropanenitrile
CID 62099516
3-[(2,6-dibromo-4-nitrophenoxy)methyl]aniline
CID 114308438
1-cyclopentyl-2-(2,6-dibromo-4-nitrophenoxy)ethanone
CID 104751996

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde?
The IUPAC name of 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde (CID 62032902) is 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde.
What is the SMILES notation for 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde?
The canonical SMILES for 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde is O=CCOc1c(Br)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde?
The InChIKey is DDJMWGJSEYFNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NO4/c9-6-3-5(11(13)14)4-7(10)8(6)15-2-1-12/h1,3-4H,2H2.
What are the key properties of 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde?
2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde has a molecular weight of 338.94 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde is sourced from PubChem (CID 62032902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).