1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene

C7H4Br2ClI — CID 131576661

IUPAC1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene
SMILESClc1cc(I)c(Br)cc1CBr
InChIInChI=1S/C7H4Br2ClI/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2H,3H2
InChIKeyVNKNUVVPFNTIES-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.60
Rot. Bonds1

About 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene

1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene (PubChem CID 131576661) has the molecular formula C7H4Br2ClI and a molecular weight of 410.27 g/mol. Its IUPAC name is 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene
PubChem CID131576661
Molecular FormulaC7H4Br2ClI
Molecular Weight410.27 g/mol
Exact Mass407.74
IUPAC Name1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene
SMILESClc1cc(I)c(Br)cc1CBr
InChIInChI=1S/C7H4Br2ClI/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2H,3H2
InChIKeyVNKNUVVPFNTIES-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene?
The IUPAC name of 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene (CID 131576661) is 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene.
What is the SMILES notation for 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene?
The canonical SMILES for 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene is Clc1cc(I)c(Br)cc1CBr.
What is the InChIKey of 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene?
The InChIKey is VNKNUVVPFNTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClI/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2H,3H2.
What are the key properties of 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene?
1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene has a molecular weight of 410.27 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene is sourced from PubChem (CID 131576661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).