1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene

C13H9ClFNO3 — CID 82727180

IUPAC1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccccc1COc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9ClFNO3/c14-11-6-5-10(7-12(11)15)19-8-9-3-1-2-4-13(9)16(17)18/h1-7H,8H2
InChIKeyFADFRWLVSCANMG-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.97
Rot. Bonds4

About 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene

1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene (PubChem CID 82727180) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
PubChem CID82727180
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccccc1COc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9ClFNO3/c14-11-6-5-10(7-12(11)15)19-8-9-3-1-2-4-13(9)16(17)18/h1-7H,8H2
InChIKeyFADFRWLVSCANMG-UHFFFAOYSA-N
XLogP3.97
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.97
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-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
CID 82716752
4-[(4-chloro-2-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107171523
2-chloro-1-[(3-fluoro-4-nitrophenoxy)methyl]-4-methylbenzene
CID 106870898
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
2-[(3-chloro-4-nitrophenoxy)methyl]benzonitrile
CID 47443114
N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
[3,5-difluoro-4-[(2-nitrophenyl)methoxy]phenyl]methanamine
CID 79880994
4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107169108
1-bromo-4-[(4-bromo-2-nitrophenyl)methoxy]-2-fluorobenzene
CID 114381636

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene?
The IUPAC name of 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene (CID 82727180) is 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene is O=[N+]([O-])c1ccccc1COc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene?
The InChIKey is FADFRWLVSCANMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-11-6-5-10(7-12(11)15)19-8-9-3-1-2-4-13(9)16(17)18/h1-7H,8H2.
What are the key properties of 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene?
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene has a molecular weight of 281.67 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 82727180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).