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

C13H10BrCl — CID 174455914

IUPAC4-bromo-2-chloro-1-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl/c1-9-4-2-3-5-11(9)12-7-6-10(14)8-13(12)15/h2-8H,1H3
InChIKeyDHNOVFWERPSURY-UHFFFAOYSA-N
MW281.58 g/mol
LogP5.08
Rot. Bonds1

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

4-bromo-2-chloro-1-(2-methylphenyl)benzene (PubChem CID 174455914) has the molecular formula C13H10BrCl and a molecular weight of 281.58 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(2-methylphenyl)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(2-methylphenyl)benzene
PubChem CID174455914
Molecular FormulaC13H10BrCl
Molecular Weight281.58 g/mol
Exact Mass279.97
IUPAC Name4-bromo-2-chloro-1-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl/c1-9-4-2-3-5-11(9)12-7-6-10(14)8-13(12)15/h2-8H,1H3
InChIKeyDHNOVFWERPSURY-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.58
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(2-methylphenyl)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(2-methylphenyl)benzene (CID 174455914) is 4-bromo-2-chloro-1-(2-methylphenyl)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(2-methylphenyl)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(2-methylphenyl)benzene is Cc1ccccc1-c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-(2-methylphenyl)benzene?
The InChIKey is DHNOVFWERPSURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl/c1-9-4-2-3-5-11(9)12-7-6-10(14)8-13(12)15/h2-8H,1H3.
What are the key properties of 4-bromo-2-chloro-1-(2-methylphenyl)benzene?
4-bromo-2-chloro-1-(2-methylphenyl)benzene has a molecular weight of 281.58 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(2-methylphenyl)benzene is sourced from PubChem (CID 174455914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).