4-bromo-3-nitrobenzaldehyde

C7H4BrNO3 — CID 808792

IUPAC4-bromo-3-nitrobenzaldehyde
SMILESO=Cc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKeySAFSVELFSYQXOV-UHFFFAOYSA-N
MW230.02 g/mol
LogP2.17
Rot. Bonds2

About 4-bromo-3-nitrobenzaldehyde

4-bromo-3-nitrobenzaldehyde (PubChem CID 808792) has the molecular formula C7H4BrNO3 and a molecular weight of 230.02 g/mol. Its IUPAC name is 4-bromo-3-nitrobenzaldehyde.

Molecular Properties

Compound Name4-bromo-3-nitrobenzaldehyde
PubChem CID808792
Molecular FormulaC7H4BrNO3
Molecular Weight230.02 g/mol
Exact Mass228.94
IUPAC Name4-bromo-3-nitrobenzaldehyde
SMILESO=Cc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKeySAFSVELFSYQXOV-UHFFFAOYSA-N
XLogP2.17
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-bromo-3,5-dinitrobenzaldehyde
CID 91286899
4-hydroxy-3-nitrobenzaldehyde
CID 18169
3-bromo-4-hydroxybenzaldehyde;3-bromo-4-hydroxy-5-nitrobenzaldehyde
CID 158318447
(E)-3-(4-bromo-3-nitrophenyl)prop-2-enoyl chloride
CID 91687058
4-(4-bromo-3-methylphenoxy)-3-nitrobenzaldehyde
CID 83140133
3-bromo-4-hydroxy-5-nitrobenzaldehyde
CID 1494378
1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene
CID 79322182
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
4-(3-bromophenyl)sulfanyl-3-nitrobenzaldehyde
CID 63801892
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
4-methoxy-3-nitrobenzaldehyde
CID 700608
1-bromo-4-chloro-2-nitrobenzene
CID 2794904

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-nitrobenzaldehyde?
The IUPAC name of 4-bromo-3-nitrobenzaldehyde (CID 808792) is 4-bromo-3-nitrobenzaldehyde.
What is the SMILES notation for 4-bromo-3-nitrobenzaldehyde?
The canonical SMILES for 4-bromo-3-nitrobenzaldehyde is O=Cc1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-3-nitrobenzaldehyde?
The InChIKey is SAFSVELFSYQXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H.
What are the key properties of 4-bromo-3-nitrobenzaldehyde?
4-bromo-3-nitrobenzaldehyde has a molecular weight of 230.02 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-nitrobenzaldehyde is sourced from PubChem (CID 808792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).