4-bromo-1-chloro-2-(chloromethyl)benzene

C7H5BrCl2 — CID 43379070

IUPAC4-bromo-1-chloro-2-(chloromethyl)benzene
SMILESClCc1cc(Br)ccc1Cl
InChIInChI=1S/C7H5BrCl2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4H2
InChIKeyXEFCTCLLJDRHSB-UHFFFAOYSA-N
MW239.93 g/mol
LogP3.84
Rot. Bonds1

About 4-bromo-1-chloro-2-(chloromethyl)benzene

4-bromo-1-chloro-2-(chloromethyl)benzene (PubChem CID 43379070) has the molecular formula C7H5BrCl2 and a molecular weight of 239.93 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(chloromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(chloromethyl)benzene
PubChem CID43379070
Molecular FormulaC7H5BrCl2
Molecular Weight239.93 g/mol
Exact Mass237.90
IUPAC Name4-bromo-1-chloro-2-(chloromethyl)benzene
SMILESClCc1cc(Br)ccc1Cl
InChIInChI=1S/C7H5BrCl2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4H2
InChIKeyXEFCTCLLJDRHSB-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.93
LogP ≤ 53.84
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 4-bromo-1-chloro-2-(chloromethyl)benzene?
The IUPAC name of 4-bromo-1-chloro-2-(chloromethyl)benzene (CID 43379070) is 4-bromo-1-chloro-2-(chloromethyl)benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-(chloromethyl)benzene?
The canonical SMILES for 4-bromo-1-chloro-2-(chloromethyl)benzene is ClCc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-(chloromethyl)benzene?
The InChIKey is XEFCTCLLJDRHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4H2.
What are the key properties of 4-bromo-1-chloro-2-(chloromethyl)benzene?
4-bromo-1-chloro-2-(chloromethyl)benzene has a molecular weight of 239.93 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-(chloromethyl)benzene is sourced from PubChem (CID 43379070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).