2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene

C13H9BrClNO3 — CID 125465496

IUPAC2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrClNO3/c14-11-7-10(15)6-5-9(11)8-19-13-4-2-1-3-12(13)16(17)18/h1-7H,8H2
InChIKeyJMHVCPCRWOSYCI-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.59
Rot. Bonds4

About 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene

2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene (PubChem CID 125465496) has the molecular formula C13H9BrClNO3 and a molecular weight of 342.58 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene
PubChem CID125465496
Molecular FormulaC13H9BrClNO3
Molecular Weight342.58 g/mol
Exact Mass340.95
IUPAC Name2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrClNO3/c14-11-7-10(15)6-5-9(11)8-19-13-4-2-1-3-12(13)16(17)18/h1-7H,8H2
InChIKeyJMHVCPCRWOSYCI-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'}

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Related Compounds

2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
[3-bromo-4-[(4-chloro-2-nitrophenyl)methoxy]phenyl]methanamine
CID 63046517
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
4-chloro-1-nitro-2-[(2-propan-2-ylphenoxy)methyl]benzene
CID 79556511
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-nitrobenzene
CID 43141649
1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanone
CID 79211794
2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646
4-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-1-nitrobenzene
CID 114850357
2-bromo-4-(chloromethyl)-1-[(5-chloro-2-nitrophenyl)methoxy]benzene
CID 79555347
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene (CID 125465496) is 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene is O=[N+]([O-])c1ccccc1OCc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene?
The InChIKey is JMHVCPCRWOSYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3/c14-11-7-10(15)6-5-9(11)8-19-13-4-2-1-3-12(13)16(17)18/h1-7H,8H2.
What are the key properties of 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene?
2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene 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 2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene is sourced from PubChem (CID 125465496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).