1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene

C14H12BrCl — CID 164892523

IUPAC1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene
SMILESCc1cccc(-c2cc(Cl)cc(Br)c2)c1C
InChIInChI=1S/C14H12BrCl/c1-9-4-3-5-14(10(9)2)11-6-12(15)8-13(16)7-11/h3-8H,1-2H3
InChIKeyCZNNRFMULBUCHV-UHFFFAOYSA-N
MW295.61 g/mol
LogP5.39
Rot. Bonds1

About 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene

1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene (PubChem CID 164892523) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene
PubChem CID164892523
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene
SMILESCc1cccc(-c2cc(Cl)cc(Br)c2)c1C
InChIInChI=1S/C14H12BrCl/c1-9-4-3-5-14(10(9)2)11-6-12(15)8-13(16)7-11/h3-8H,1-2H3
InChIKeyCZNNRFMULBUCHV-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene?
The IUPAC name of 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene (CID 164892523) is 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene is Cc1cccc(-c2cc(Cl)cc(Br)c2)c1C.
What is the InChIKey of 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene?
The InChIKey is CZNNRFMULBUCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl/c1-9-4-3-5-14(10(9)2)11-6-12(15)8-13(16)7-11/h3-8H,1-2H3.
What are the key properties of 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene?
1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene has a molecular weight of 295.61 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene is sourced from PubChem (CID 164892523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).