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

C13H9BrFNO3 — CID 82824297

IUPAC1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
SMILESO=[N+]([O-])c1c(F)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C13H9BrFNO3/c14-10-4-1-3-9(7-10)8-19-12-6-2-5-11(15)13(12)16(17)18/h1-7H,8H2
InChIKeyHIYHGSRIISUOSM-UHFFFAOYSA-N
MW326.12 g/mol
LogP4.08
Rot. Bonds4

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

1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene (PubChem CID 82824297) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene.

Molecular Properties

Compound Name1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
PubChem CID82824297
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC Name1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
SMILESO=[N+]([O-])c1c(F)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C13H9BrFNO3/c14-10-4-1-3-9(7-10)8-19-12-6-2-5-11(15)13(12)16(17)18/h1-7H,8H2
InChIKeyHIYHGSRIISUOSM-UHFFFAOYSA-N
XLogP4.08
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 54.08
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

1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
1-[(4-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 65125963
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
CID 82824688
N-[(3-bromophenyl)methyl]-3-fluoro-2-nitroaniline
CID 61401714
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
3-[(3-bromophenyl)methoxy]-4-nitrobenzoic acid
CID 60711490
1-[(2-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 62664888
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 114672194
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene?
The IUPAC name of 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene (CID 82824297) is 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene.
What is the SMILES notation for 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene?
The canonical SMILES for 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene is O=[N+]([O-])c1c(F)cccc1OCc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene?
The InChIKey is HIYHGSRIISUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c14-10-4-1-3-9(7-10)8-19-12-6-2-5-11(15)13(12)16(17)18/h1-7H,8H2.
What are the key properties of 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene?
1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene has a molecular weight of 326.12 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene is sourced from PubChem (CID 82824297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).