1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene

C13H9BrClNO3 — CID 104835460

IUPAC1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene
SMILESO=[N+]([O-])c1c(Cl)cccc1OCc1ccccc1Br
InChIInChI=1S/C13H9BrClNO3/c14-10-5-2-1-4-9(10)8-19-12-7-3-6-11(15)13(12)16(17)18/h1-7H,8H2
InChIKeyROOVCWKLJOXRIK-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.59
Rot. Bonds4

About 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene

1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene (PubChem CID 104835460) has the molecular formula C13H9BrClNO3 and a molecular weight of 342.58 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene.

Molecular Properties

Compound Name1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene
PubChem CID104835460
Molecular FormulaC13H9BrClNO3
Molecular Weight342.58 g/mol
Exact Mass340.95
IUPAC Name1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene
SMILESO=[N+]([O-])c1c(Cl)cccc1OCc1ccccc1Br
InChIInChI=1S/C13H9BrClNO3/c14-10-5-2-1-4-9(10)8-19-12-7-3-6-11(15)13(12)16(17)18/h1-7H,8H2
InChIKeyROOVCWKLJOXRIK-UHFFFAOYSA-N
XLogP4.59
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 62664888
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190
2-[(2-bromophenyl)methoxy]-1-chloro-4-nitrobenzene
CID 63990985
2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
1-bromo-2-[(2-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235955
1-chloro-3-(2-methylpropoxy)-2-nitrobenzene
CID 104835274
1-chloro-2-nitro-3-(2,2,2-trifluoroethoxy)benzene
CID 104835265
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322938
2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene
CID 125465496
2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 114321460
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene?
The IUPAC name of 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene (CID 104835460) is 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene.
What is the SMILES notation for 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene?
The canonical SMILES for 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene is O=[N+]([O-])c1c(Cl)cccc1OCc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene?
The InChIKey is ROOVCWKLJOXRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3/c14-10-5-2-1-4-9(10)8-19-12-7-3-6-11(15)13(12)16(17)18/h1-7H,8H2.
What are the key properties of 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene?
1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene has a molecular weight of 342.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene is sourced from PubChem (CID 104835460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).