2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde

C14H9BrClNO4 — CID 114381646

IUPAC2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9BrClNO4/c15-11-2-1-9(13(6-11)17(19)20)8-21-14-4-3-12(16)5-10(14)7-18/h1-7H,8H2
InChIKeyOIICWESMIJBZRT-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.40
Rot. Bonds5

About 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde

2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde (PubChem CID 114381646) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
PubChem CID114381646
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9BrClNO4/c15-11-2-1-9(13(6-11)17(19)20)8-21-14-4-3-12(16)5-10(14)7-18/h1-7H,8H2
InChIKeyOIICWESMIJBZRT-UHFFFAOYSA-N
XLogP4.40
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.40
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

4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
CID 114381649
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-4-chloro-1-nitrobenzene
CID 79557676
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
[3-bromo-4-[(4-chloro-2-nitrophenyl)methoxy]phenyl]methanamine
CID 63046517
2-[(4-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955783
4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde
CID 60722601
1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
CID 114382705
2-(4-bromo-2-nitrophenoxy)-4-chloro-1-(chloromethyl)benzene
CID 114847132
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424
2-[(5-bromo-2-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8808860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde?
The IUPAC name of 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde (CID 114381646) is 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde.
What is the SMILES notation for 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde?
The canonical SMILES for 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde is O=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde?
The InChIKey is OIICWESMIJBZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-11-2-1-9(13(6-11)17(19)20)8-21-14-4-3-12(16)5-10(14)7-18/h1-7H,8H2.
What are the key properties of 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde?
2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde has a molecular weight of 370.59 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde is sourced from PubChem (CID 114381646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).