4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene

C13H9BrClNO3 — CID 107284554

IUPAC4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene
SMILESCc1ccc(Br)cc1Oc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClNO3/c1-8-2-3-9(14)6-12(8)19-13-7-10(15)4-5-11(13)16(17)18/h2-7H,1H3
InChIKeyFOLZOQYPXSMTAZ-UHFFFAOYSA-N
MW342.58 g/mol
LogP5.11
Rot. Bonds3

About 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene

4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene (PubChem CID 107284554) has the molecular formula C13H9BrClNO3 and a molecular weight of 342.58 g/mol. Its IUPAC name is 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene
PubChem CID107284554
Molecular FormulaC13H9BrClNO3
Molecular Weight342.58 g/mol
Exact Mass340.95
IUPAC Name4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene
SMILESCc1ccc(Br)cc1Oc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClNO3/c1-8-2-3-9(14)6-12(8)19-13-7-10(15)4-5-11(13)16(17)18/h2-7H,1H3
InChIKeyFOLZOQYPXSMTAZ-UHFFFAOYSA-N
XLogP5.11
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.58
LogP ≤ 55.11
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

4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
CID 107284372
1-[4-bromo-2-(5-chloro-2-nitrophenoxy)phenyl]ethanamine
CID 82955704
5-bromo-2-(5-chloro-2-nitrophenoxy)benzonitrile
CID 114891050
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
5-(5-bromo-2-methylphenoxy)-2-nitroaniline
CID 107287356
1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527
2-(4-bromo-2-nitrophenoxy)-5-chloro-1,3-dimethylbenzene
CID 63463836
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
2-(4-bromo-2-nitrophenoxy)-4-chloro-1-(chloromethyl)benzene
CID 114847132
6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403306
4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
CID 65341768

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene?
The IUPAC name of 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene (CID 107284554) is 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene?
The canonical SMILES for 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene is Cc1ccc(Br)cc1Oc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene?
The InChIKey is FOLZOQYPXSMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3/c1-8-2-3-9(14)6-12(8)19-13-7-10(15)4-5-11(13)16(17)18/h2-7H,1H3.
What are the key properties of 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene?
4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene has a molecular weight of 342.58 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene is sourced from PubChem (CID 107284554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).