2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene

C14H10BrClFNO3 — CID 114320904

IUPAC2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(F)cc1COc1cccc(Cl)c1CBr
InChIInChI=1S/C14H10BrClFNO3/c15-7-11-12(16)2-1-3-14(11)21-8-9-6-10(17)4-5-13(9)18(19)20/h1-6H,7-8H2
InChIKeyFHNZMBOHRLJUCY-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.86
Rot. Bonds5

About 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene

2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene (PubChem CID 114320904) has the molecular formula C14H10BrClFNO3 and a molecular weight of 374.59 g/mol. Its IUPAC name is 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
PubChem CID114320904
Molecular FormulaC14H10BrClFNO3
Molecular Weight374.59 g/mol
Exact Mass372.95
IUPAC Name2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(F)cc1COc1cccc(Cl)c1CBr
InChIInChI=1S/C14H10BrClFNO3/c15-7-11-12(16)2-1-3-14(11)21-8-9-6-10(17)4-5-13(9)18(19)20/h1-6H,7-8H2
InChIKeyFHNZMBOHRLJUCY-UHFFFAOYSA-N
XLogP4.86
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
2-[[3-(bromomethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443687
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
1-[2-(bromomethyl)-3-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500351
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60905408
2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 114321460
1-(bromomethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzene
CID 115956808
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-1-chloro-3-nitrobenzene
CID 107691546
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 61031552

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene?
The IUPAC name of 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene (CID 114320904) is 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene?
The canonical SMILES for 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene is O=[N+]([O-])c1ccc(F)cc1COc1cccc(Cl)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene?
The InChIKey is FHNZMBOHRLJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO3/c15-7-11-12(16)2-1-3-14(11)21-8-9-6-10(17)4-5-13(9)18(19)20/h1-6H,7-8H2.
What are the key properties of 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene?
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene has a molecular weight of 374.59 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 114320904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).