1-bromo-3,4-dichloro-2-nitrobenzene

C6H2BrCl2NO2 — CID 118813548

IUPAC1-bromo-3,4-dichloro-2-nitrobenzene
SMILESO=[N+]([O-])c1c(Br)ccc(Cl)c1Cl
InChIInChI=1S/C6H2BrCl2NO2/c7-3-1-2-4(8)5(9)6(3)10(11)12/h1-2H
InChIKeyAUIPRUDRLHQQFD-UHFFFAOYSA-N
MW270.90 g/mol
LogP3.66
Rot. Bonds1

About 1-bromo-3,4-dichloro-2-nitrobenzene

1-bromo-3,4-dichloro-2-nitrobenzene (PubChem CID 118813548) has the molecular formula C6H2BrCl2NO2 and a molecular weight of 270.90 g/mol. Its IUPAC name is 1-bromo-3,4-dichloro-2-nitrobenzene.

Molecular Properties

Compound Name1-bromo-3,4-dichloro-2-nitrobenzene
PubChem CID118813548
Molecular FormulaC6H2BrCl2NO2
Molecular Weight270.90 g/mol
Exact Mass268.86
IUPAC Name1-bromo-3,4-dichloro-2-nitrobenzene
SMILESO=[N+]([O-])c1c(Br)ccc(Cl)c1Cl
InChIInChI=1S/C6H2BrCl2NO2/c7-3-1-2-4(8)5(9)6(3)10(11)12/h1-2H
InChIKeyAUIPRUDRLHQQFD-UHFFFAOYSA-N
XLogP3.66
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.90
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

1,2,4-tribromo-3-nitrobenzene
CID 118837685
3,4-dichloro-2-nitrobenzoic acid
CID 20516693
1,2-dichloro-3-nitro-4-(trifluoromethyl)benzene
CID 15103062
3-bromo-6-methyl-2-nitroaniline
CID 84726344
2,3-dichloro-6-(3,5-dibromo-2,6-dinitrophenyl)sulfanylaniline
CID 10459251
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
2-benzyl-1-bromo-4-chloro-3-nitrobenzene
CID 141415217
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine
CID 170430604
3,6-dichloro-2-nitroaniline
CID 3576459
(3-bromo-6-methyl-2-nitrophenyl)methanol
CID 130776681
1-(3,6-dibromo-2-nitrophenyl)ethanone
CID 171005207

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dichloro-2-nitrobenzene?
The IUPAC name of 1-bromo-3,4-dichloro-2-nitrobenzene (CID 118813548) is 1-bromo-3,4-dichloro-2-nitrobenzene.
What is the SMILES notation for 1-bromo-3,4-dichloro-2-nitrobenzene?
The canonical SMILES for 1-bromo-3,4-dichloro-2-nitrobenzene is O=[N+]([O-])c1c(Br)ccc(Cl)c1Cl.
What is the InChIKey of 1-bromo-3,4-dichloro-2-nitrobenzene?
The InChIKey is AUIPRUDRLHQQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2NO2/c7-3-1-2-4(8)5(9)6(3)10(11)12/h1-2H.
What are the key properties of 1-bromo-3,4-dichloro-2-nitrobenzene?
1-bromo-3,4-dichloro-2-nitrobenzene has a molecular weight of 270.90 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dichloro-2-nitrobenzene is sourced from PubChem (CID 118813548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).