1-(bromomethyl)-4-(2-chlorophenyl)benzene

C13H10BrCl — CID 22246832

IUPAC1-(bromomethyl)-4-(2-chlorophenyl)benzene
SMILESClc1ccccc1-c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrCl/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15/h1-8H,9H2
InChIKeyAKKKBAAKKXGEQY-UHFFFAOYSA-N
MW281.58 g/mol
LogP4.90
Rot. Bonds2

About 1-(bromomethyl)-4-(2-chlorophenyl)benzene

1-(bromomethyl)-4-(2-chlorophenyl)benzene (PubChem CID 22246832) has the molecular formula C13H10BrCl and a molecular weight of 281.58 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(2-chlorophenyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(2-chlorophenyl)benzene
PubChem CID22246832
Molecular FormulaC13H10BrCl
Molecular Weight281.58 g/mol
Exact Mass279.97
IUPAC Name1-(bromomethyl)-4-(2-chlorophenyl)benzene
SMILESClc1ccccc1-c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrCl/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15/h1-8H,9H2
InChIKeyAKKKBAAKKXGEQY-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.58
LogP ≤ 54.90
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-(bromomethyl)-4-(2-chlorophenyl)benzene?
The IUPAC name of 1-(bromomethyl)-4-(2-chlorophenyl)benzene (CID 22246832) is 1-(bromomethyl)-4-(2-chlorophenyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(2-chlorophenyl)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(2-chlorophenyl)benzene is Clc1ccccc1-c1ccc(CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-4-(2-chlorophenyl)benzene?
The InChIKey is AKKKBAAKKXGEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15/h1-8H,9H2.
What are the key properties of 1-(bromomethyl)-4-(2-chlorophenyl)benzene?
1-(bromomethyl)-4-(2-chlorophenyl)benzene has a molecular weight of 281.58 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(2-chlorophenyl)benzene is sourced from PubChem (CID 22246832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).