(2-formyl-5-nitrophenyl) hypobromite

C7H4BrNO4 — CID 174599532

IUPAC(2-formyl-5-nitrophenyl) hypobromite
SMILESO=Cc1ccc([N+](=O)[O-])cc1OBr
InChIInChI=1S/C7H4BrNO4/c8-13-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H
InChIKeyLCLKXVJMSQUAGO-UHFFFAOYSA-N
MW246.02 g/mol
LogP2.10
Rot. Bonds3

About (2-formyl-5-nitrophenyl) hypobromite

(2-formyl-5-nitrophenyl) hypobromite (PubChem CID 174599532) has the molecular formula C7H4BrNO4 and a molecular weight of 246.02 g/mol. Its IUPAC name is (2-formyl-5-nitrophenyl) hypobromite.

Molecular Properties

Compound Name(2-formyl-5-nitrophenyl) hypobromite
PubChem CID174599532
Molecular FormulaC7H4BrNO4
Molecular Weight246.02 g/mol
Exact Mass244.93
IUPAC Name(2-formyl-5-nitrophenyl) hypobromite
SMILESO=Cc1ccc([N+](=O)[O-])cc1OBr
InChIInChI=1S/C7H4BrNO4/c8-13-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H
InChIKeyLCLKXVJMSQUAGO-UHFFFAOYSA-N
XLogP2.10
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 52.10
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-methoxy-4-nitrobenzaldehyde
CID 2759599
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 61030930
2-(2-bromoethoxy)-5-nitrobenzaldehyde
CID 14050433
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218
2-[(E)-1,2-dichloroethenoxy]-5-nitrobenzaldehyde
CID 25194731
2-(2-bromophenoxy)-5-nitrobenzaldehyde
CID 28888057
3-(2-methoxy-4-nitrophenyl)prop-2-enal
CID 169459664
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
(2-amino-5-nitrophenyl) formate
CID 174961897
4-(2-formyl-4-nitrophenoxy)butanenitrile
CID 43471249
2-decoxy-5-nitrobenzaldehyde
CID 25058968

Frequently Asked Questions

What is the IUPAC name of (2-formyl-5-nitrophenyl) hypobromite?
The IUPAC name of (2-formyl-5-nitrophenyl) hypobromite (CID 174599532) is (2-formyl-5-nitrophenyl) hypobromite.
What is the SMILES notation for (2-formyl-5-nitrophenyl) hypobromite?
The canonical SMILES for (2-formyl-5-nitrophenyl) hypobromite is O=Cc1ccc([N+](=O)[O-])cc1OBr.
What is the InChIKey of (2-formyl-5-nitrophenyl) hypobromite?
The InChIKey is LCLKXVJMSQUAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO4/c8-13-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H.
What are the key properties of (2-formyl-5-nitrophenyl) hypobromite?
(2-formyl-5-nitrophenyl) hypobromite has a molecular weight of 246.02 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-5-nitrophenyl) hypobromite is sourced from PubChem (CID 174599532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).