1-bromo-2-(dibromomethyl)-4-nitrobenzene

C7H4Br3NO2 — CID 56647182

IUPAC1-bromo-2-(dibromomethyl)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Br)c(C(Br)Br)c1
InChIInChI=1S/C7H4Br3NO2/c8-6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3,7H
InChIKeyHRUHRGJIGBNKJV-UHFFFAOYSA-N
MW373.83 g/mol
LogP4.15
Rot. Bonds2

About 1-bromo-2-(dibromomethyl)-4-nitrobenzene

1-bromo-2-(dibromomethyl)-4-nitrobenzene (PubChem CID 56647182) has the molecular formula C7H4Br3NO2 and a molecular weight of 373.83 g/mol. Its IUPAC name is 1-bromo-2-(dibromomethyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-bromo-2-(dibromomethyl)-4-nitrobenzene
PubChem CID56647182
Molecular FormulaC7H4Br3NO2
Molecular Weight373.83 g/mol
Exact Mass370.78
IUPAC Name1-bromo-2-(dibromomethyl)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Br)c(C(Br)Br)c1
InChIInChI=1S/C7H4Br3NO2/c8-6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3,7H
InChIKeyHRUHRGJIGBNKJV-UHFFFAOYSA-N
XLogP4.15
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 54.15
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

1-bromo-2-(difluoromethyl)-4-nitrobenzene
CID 122515601
2-bromo-5-nitrophenol;ethane
CID 177010307
2-(2-bromo-4-nitrophenyl)propanedinitrile
CID 152983541
3-bromo-6-nitro-1H-indole
CID 14707934
(2-bromo-5-nitrophenyl)methanamine
CID 59511923
2-bromo-N-(2,4-dimethylpentan-3-yl)-5-nitroaniline
CID 112743241
2-bromo-1-(2-bromo-4-nitrophenyl)propan-1-one
CID 131573884
1-(2-bromo-5-nitrophenyl)-N-methylmethanamine
CID 59315032
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
3-(2-bromo-4-nitrophenyl)-N-methylpentan-2-amine
CID 63200584
1-[(1S,2R)-1,2-dibromo-2-[4-[(1R,2S)-1,2-dibromo-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitrobenzene
CID 100805136
(2-bromo-5-nitrobenzoyl)phosphonic acid
CID 19604558

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(dibromomethyl)-4-nitrobenzene?
The IUPAC name of 1-bromo-2-(dibromomethyl)-4-nitrobenzene (CID 56647182) is 1-bromo-2-(dibromomethyl)-4-nitrobenzene.
What is the SMILES notation for 1-bromo-2-(dibromomethyl)-4-nitrobenzene?
The canonical SMILES for 1-bromo-2-(dibromomethyl)-4-nitrobenzene is O=[N+]([O-])c1ccc(Br)c(C(Br)Br)c1.
What is the InChIKey of 1-bromo-2-(dibromomethyl)-4-nitrobenzene?
The InChIKey is HRUHRGJIGBNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3NO2/c8-6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3,7H.
What are the key properties of 1-bromo-2-(dibromomethyl)-4-nitrobenzene?
1-bromo-2-(dibromomethyl)-4-nitrobenzene has a molecular weight of 373.83 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(dibromomethyl)-4-nitrobenzene is sourced from PubChem (CID 56647182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).