1-bromo-3-nitrobenzene;zinc

C6H4BrNO2Zn — CID 159421870

IUPAC1-bromo-3-nitrobenzene;zinc
SMILESO=[N+]([O-])c1cccc(Br)c1.[Zn]
InChIInChI=1S/C6H4BrNO2.Zn/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H;
InChIKeyLPWCYLAKXKAPLE-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.35
Rot. Bonds1

About 1-bromo-3-nitrobenzene;zinc

1-bromo-3-nitrobenzene;zinc (PubChem CID 159421870) has the molecular formula C6H4BrNO2Zn and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-bromo-3-nitrobenzene;zinc.

Molecular Properties

Compound Name1-bromo-3-nitrobenzene;zinc
PubChem CID159421870
Molecular FormulaC6H4BrNO2Zn
Molecular Weight267.40 g/mol
Exact Mass264.87
IUPAC Name1-bromo-3-nitrobenzene;zinc
SMILESO=[N+]([O-])c1cccc(Br)c1.[Zn]
InChIInChI=1S/C6H4BrNO2.Zn/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H;
InChIKeyLPWCYLAKXKAPLE-UHFFFAOYSA-N
XLogP2.35
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

3-bromophenol;1,3-dinitrobenzene
CID 174334115
1-bromo-2-nitrobenzene;1-bromo-3-nitrobenzene;pyridine
CID 87897015
1-(3-bromophenyl)-2,4-dinitrobenzene
CID 174514177
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
(3-nitrophenyl)phosphane
CID 101369545
CID 174796132
CID 174796132
1-methyl-3-nitrobenzene
CID 7422
CID 58015538
CID 58015538
(3-nitrophenyl) selenohypobromite
CID 134881670
(3-bromophenyl)methyl 3-nitrobenzenesulfonate
CID 71320274
1-methyl-3-nitrobenzene chloride
CID 20509973

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-nitrobenzene;zinc?
The IUPAC name of 1-bromo-3-nitrobenzene;zinc (CID 159421870) is 1-bromo-3-nitrobenzene;zinc.
What is the SMILES notation for 1-bromo-3-nitrobenzene;zinc?
The canonical SMILES for 1-bromo-3-nitrobenzene;zinc is O=[N+]([O-])c1cccc(Br)c1.[Zn].
What is the InChIKey of 1-bromo-3-nitrobenzene;zinc?
The InChIKey is LPWCYLAKXKAPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2.Zn/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H;.
What are the key properties of 1-bromo-3-nitrobenzene;zinc?
1-bromo-3-nitrobenzene;zinc has a molecular weight of 267.40 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-nitrobenzene;zinc is sourced from PubChem (CID 159421870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).