1,2,3-tris(bromomethyl)benzene

C9H9Br3 — CID 23356124

IUPAC1,2,3-tris(bromomethyl)benzene
SMILESBrCc1cccc(CBr)c1CBr
InChIInChI=1S/C9H9Br3/c10-4-7-2-1-3-8(5-11)9(7)6-12/h1-3H,4-6H2
InChIKeyFABVRSFEBCDJLC-UHFFFAOYSA-N
MW356.88 g/mol
LogP4.37
Rot. Bonds3

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

1,2,3-tris(bromomethyl)benzene (PubChem CID 23356124) has the molecular formula C9H9Br3 and a molecular weight of 356.88 g/mol. Its IUPAC name is 1,2,3-tris(bromomethyl)benzene.

Molecular Properties

Compound Name1,2,3-tris(bromomethyl)benzene
PubChem CID23356124
Molecular FormulaC9H9Br3
Molecular Weight356.88 g/mol
Exact Mass353.83
IUPAC Name1,2,3-tris(bromomethyl)benzene
SMILESBrCc1cccc(CBr)c1CBr
InChIInChI=1S/C9H9Br3/c10-4-7-2-1-3-8(5-11)9(7)6-12/h1-3H,4-6H2
InChIKeyFABVRSFEBCDJLC-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3-tris(bromomethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(bromomethyl)benzene?
The IUPAC name of 1,2,3-tris(bromomethyl)benzene (CID 23356124) is 1,2,3-tris(bromomethyl)benzene.
What is the SMILES notation for 1,2,3-tris(bromomethyl)benzene?
The canonical SMILES for 1,2,3-tris(bromomethyl)benzene is BrCc1cccc(CBr)c1CBr.
What is the InChIKey of 1,2,3-tris(bromomethyl)benzene?
The InChIKey is FABVRSFEBCDJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br3/c10-4-7-2-1-3-8(5-11)9(7)6-12/h1-3H,4-6H2.
What are the key properties of 1,2,3-tris(bromomethyl)benzene?
1,2,3-tris(bromomethyl)benzene has a molecular weight of 356.88 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(bromomethyl)benzene is sourced from PubChem (CID 23356124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).