4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde

C14H9BrClNO4 — CID 114381649

IUPAC4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Br)cc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-11-3-2-10(13(6-11)17(19)20)8-21-14-4-1-9(7-18)5-12(14)16/h1-7H,8H2
InChIKeyYYBZWNVFIGVFFN-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.40
Rot. Bonds5

About 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde

4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde (PubChem CID 114381649) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
PubChem CID114381649
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Br)cc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-11-3-2-10(13(6-11)17(19)20)8-21-14-4-1-9(7-18)5-12(14)16/h1-7H,8H2
InChIKeyYYBZWNVFIGVFFN-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

2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646
3-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
3-bromo-4-[(2-chloro-4-nitrophenyl)methoxy]benzaldehyde
CID 63051105
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
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-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699
4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde
CID 155818963
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
CID 63529195
4-bromo-1-[[4-(chloromethyl)phenoxy]methyl]-2-nitrobenzene
CID 114381869
1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
CID 1260892

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde?
The IUPAC name of 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde (CID 114381649) is 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde.
What is the SMILES notation for 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde?
The canonical SMILES for 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde is O=Cc1ccc(OCc2ccc(Br)cc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde?
The InChIKey is YYBZWNVFIGVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-11-3-2-10(13(6-11)17(19)20)8-21-14-4-1-9(7-18)5-12(14)16/h1-7H,8H2.
What are the key properties of 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde?
4-[(4-bromo-2-nitrophenyl)methoxy]-3-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 4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde is sourced from PubChem (CID 114381649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).