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

C13H9Br2NO3 — CID 81499450

IUPAC1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(Br)c1OCc1ccccc1Br
InChIInChI=1S/C13H9Br2NO3/c14-10-5-2-1-4-9(10)8-19-13-11(15)6-3-7-12(13)16(17)18/h1-7H,8H2
InChIKeySZLCKFBPZZLUKG-UHFFFAOYSA-N
MW387.03 g/mol
LogP4.70
Rot. Bonds4

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

1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene (PubChem CID 81499450) has the molecular formula C13H9Br2NO3 and a molecular weight of 387.03 g/mol. Its IUPAC name is 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
PubChem CID81499450
Molecular FormulaC13H9Br2NO3
Molecular Weight387.03 g/mol
Exact Mass384.89
IUPAC Name1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(Br)c1OCc1ccccc1Br
InChIInChI=1S/C13H9Br2NO3/c14-10-5-2-1-4-9(10)8-19-13-11(15)6-3-7-12(13)16(17)18/h1-7H,8H2
InChIKeySZLCKFBPZZLUKG-UHFFFAOYSA-N
XLogP4.70
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.03
LogP ≤ 54.70
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-bromo-3-(bromomethyl)-2-[(2-nitrophenyl)methoxy]benzene
CID 63535205
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
CID 61391476
1-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]-3-nitrobenzene
CID 81496186
1-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349915
1-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]-3-nitrobenzene
CID 81496190
2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene
CID 81499595
1-bromo-2-(2-chloroethoxy)-3-nitrobenzene
CID 81499939
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-nitrobenzene
CID 43141649
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1-bromo-2-but-3-ynoxy-3-nitrobenzene
CID 81499971
3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine
CID 115741675
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene?
The IUPAC name of 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene (CID 81499450) is 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene.
What is the SMILES notation for 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene?
The canonical SMILES for 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene is O=[N+]([O-])c1cccc(Br)c1OCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene?
The InChIKey is SZLCKFBPZZLUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO3/c14-10-5-2-1-4-9(10)8-19-13-11(15)6-3-7-12(13)16(17)18/h1-7H,8H2.
What are the key properties of 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene?
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene has a molecular weight of 387.03 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene is sourced from PubChem (CID 81499450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).