1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene

C10H9Br2NO2 — CID 79322182

IUPAC1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene
SMILESCC(=Cc1ccc(Br)c([N+](=O)[O-])c1)CBr
InChIInChI=1S/C10H9Br2NO2/c1-7(6-11)4-8-2-3-9(12)10(5-8)13(14)15/h2-5H,6H2,1H3
InChIKeyJZUSHXMZBKMVKJ-UHFFFAOYSA-N
MW335.00 g/mol
LogP4.16
Rot. Bonds3

About 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene

1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene (PubChem CID 79322182) has the molecular formula C10H9Br2NO2 and a molecular weight of 335.00 g/mol. Its IUPAC name is 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene
PubChem CID79322182
Molecular FormulaC10H9Br2NO2
Molecular Weight335.00 g/mol
Exact Mass332.90
IUPAC Name1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene
SMILESCC(=Cc1ccc(Br)c([N+](=O)[O-])c1)CBr
InChIInChI=1S/C10H9Br2NO2/c1-7(6-11)4-8-2-3-9(12)10(5-8)13(14)15/h2-5H,6H2,1H3
InChIKeyJZUSHXMZBKMVKJ-UHFFFAOYSA-N
XLogP4.16
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.00
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[(4-bromo-3-nitrophenyl)methylidene]butan-1-ol
CID 79334404
1-bromo-4-[2-(chloromethyl)but-1-enyl]-2-nitrobenzene
CID 79334466
4-bromo-3-nitrobenzaldehyde
CID 808792
(E)-3-(4-bromo-3-nitrophenyl)prop-2-enoyl chloride
CID 91687058
2-[(4-bromo-3-nitrophenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79330384
(E)-2-benzamido-3-(4-bromo-3-nitrophenyl)prop-2-enoic acid
CID 6209892
acetic acid;2-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]guanidine
CID 87175667
4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene
CID 79323664
N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide
CID 3598154
3-(4-bromo-3-nitroanilino)-2,2-dimethylpropan-1-ol
CID 81410959
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
4-[(4-bromo-3-nitrophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 3639649

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene?
The IUPAC name of 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene (CID 79322182) is 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene.
What is the SMILES notation for 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene?
The canonical SMILES for 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene is CC(=Cc1ccc(Br)c([N+](=O)[O-])c1)CBr.
What is the InChIKey of 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene?
The InChIKey is JZUSHXMZBKMVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2/c1-7(6-11)4-8-2-3-9(12)10(5-8)13(14)15/h2-5H,6H2,1H3.
What are the key properties of 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene?
1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene has a molecular weight of 335.00 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene is sourced from PubChem (CID 79322182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).