1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene

C12H6Br2ClF — CID 54452365

IUPAC1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene
SMILESFc1cccc(-c2ccc(Br)c(Br)c2)c1Cl
InChIInChI=1S/C12H6Br2ClF/c13-9-5-4-7(6-10(9)14)8-2-1-3-11(16)12(8)15/h1-6H
InChIKeyOQMMLGOZMXYODW-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.67
Rot. Bonds1

About 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene

1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene (PubChem CID 54452365) has the molecular formula C12H6Br2ClF and a molecular weight of 364.44 g/mol. Its IUPAC name is 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene.

Molecular Properties

Compound Name1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene
PubChem CID54452365
Molecular FormulaC12H6Br2ClF
Molecular Weight364.44 g/mol
Exact Mass361.85
IUPAC Name1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene
SMILESFc1cccc(-c2ccc(Br)c(Br)c2)c1Cl
InChIInChI=1S/C12H6Br2ClF/c13-9-5-4-7(6-10(9)14)8-2-1-3-11(16)12(8)15/h1-6H
InChIKeyOQMMLGOZMXYODW-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene?
The IUPAC name of 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene (CID 54452365) is 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene.
What is the SMILES notation for 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene?
The canonical SMILES for 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene is Fc1cccc(-c2ccc(Br)c(Br)c2)c1Cl.
What is the InChIKey of 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene?
The InChIKey is OQMMLGOZMXYODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2ClF/c13-9-5-4-7(6-10(9)14)8-2-1-3-11(16)12(8)15/h1-6H.
What are the key properties of 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene?
1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene has a molecular weight of 364.44 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4-(2-chloro-3-fluorophenyl)benzene is sourced from PubChem (CID 54452365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).