1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene

C13H9Br2Cl — CID 67396310

IUPAC1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene
SMILESClc1ccccc1-c1cc(Br)cc(CBr)c1
InChIInChI=1S/C13H9Br2Cl/c14-8-9-5-10(7-11(15)6-9)12-3-1-2-4-13(12)16/h1-7H,8H2
InChIKeyQULTWOSAJZVSIK-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.66
Rot. Bonds2

About 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene

1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene (PubChem CID 67396310) has the molecular formula C13H9Br2Cl and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene
PubChem CID67396310
Molecular FormulaC13H9Br2Cl
Molecular Weight360.48 g/mol
Exact Mass357.88
IUPAC Name1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene
SMILESClc1ccccc1-c1cc(Br)cc(CBr)c1
InChIInChI=1S/C13H9Br2Cl/c14-8-9-5-10(7-11(15)6-9)12-3-1-2-4-13(12)16/h1-7H,8H2
InChIKeyQULTWOSAJZVSIK-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.66
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-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene?
The IUPAC name of 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene (CID 67396310) is 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene.
What is the SMILES notation for 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene?
The canonical SMILES for 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene is Clc1ccccc1-c1cc(Br)cc(CBr)c1.
What is the InChIKey of 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene?
The InChIKey is QULTWOSAJZVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl/c14-8-9-5-10(7-11(15)6-9)12-3-1-2-4-13(12)16/h1-7H,8H2.
What are the key properties of 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene?
1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene has a molecular weight of 360.48 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene is sourced from PubChem (CID 67396310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).