1,3-dibromo-2-(bromomethyl)benzene

C7H5Br3 — CID 13381015

IUPAC1,3-dibromo-2-(bromomethyl)benzene
SMILESBrCc1c(Br)cccc1Br
InChIInChI=1S/C7H5Br3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyQFXJJFWSOLXOSE-UHFFFAOYSA-N
MW328.83 g/mol
LogP4.11
Rot. Bonds1

About 1,3-dibromo-2-(bromomethyl)benzene

1,3-dibromo-2-(bromomethyl)benzene (PubChem CID 13381015) has the molecular formula C7H5Br3 and a molecular weight of 328.83 g/mol. Its IUPAC name is 1,3-dibromo-2-(bromomethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-(bromomethyl)benzene
PubChem CID13381015
Molecular FormulaC7H5Br3
Molecular Weight328.83 g/mol
Exact Mass325.79
IUPAC Name1,3-dibromo-2-(bromomethyl)benzene
SMILESBrCc1c(Br)cccc1Br
InChIInChI=1S/C7H5Br3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyQFXJJFWSOLXOSE-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(bromomethyl)benzene?
The IUPAC name of 1,3-dibromo-2-(bromomethyl)benzene (CID 13381015) is 1,3-dibromo-2-(bromomethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-(bromomethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-(bromomethyl)benzene is BrCc1c(Br)cccc1Br.
What is the InChIKey of 1,3-dibromo-2-(bromomethyl)benzene?
The InChIKey is QFXJJFWSOLXOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2.
What are the key properties of 1,3-dibromo-2-(bromomethyl)benzene?
1,3-dibromo-2-(bromomethyl)benzene has a molecular weight of 328.83 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(bromomethyl)benzene is sourced from PubChem (CID 13381015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).