2-(2-bromophenyl)-1-chloro-3-methylbenzene

C13H10BrCl — CID 66251808

IUPAC2-(2-bromophenyl)-1-chloro-3-methylbenzene
SMILESCc1cccc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C13H10BrCl/c1-9-5-4-8-12(15)13(9)10-6-2-3-7-11(10)14/h2-8H,1H3
InChIKeyJUMGDCGDAKDFRZ-UHFFFAOYSA-N
MW281.58 g/mol
LogP5.08
Rot. Bonds1

About 2-(2-bromophenyl)-1-chloro-3-methylbenzene

2-(2-bromophenyl)-1-chloro-3-methylbenzene (PubChem CID 66251808) has the molecular formula C13H10BrCl and a molecular weight of 281.58 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-chloro-3-methylbenzene.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-chloro-3-methylbenzene
PubChem CID66251808
Molecular FormulaC13H10BrCl
Molecular Weight281.58 g/mol
Exact Mass279.97
IUPAC Name2-(2-bromophenyl)-1-chloro-3-methylbenzene
SMILESCc1cccc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C13H10BrCl/c1-9-5-4-8-12(15)13(9)10-6-2-3-7-11(10)14/h2-8H,1H3
InChIKeyJUMGDCGDAKDFRZ-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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Related Compounds

2-Bromo-4'-chloro-1,1'-biphenyl
CID 12939405
2-Bromo-2'-chloro-1,1'-biphenyl
CID 13614018
1-Bromo-8-chloronaphthalene
CID 20331999
4-Bromo-4'-chloro-1,1'-biphenyl
CID 2756876
1-(Bromomethyl)-3-chloro-2-methylbenzene
CID 10513091
1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
1-Bromo-5-chloro-naphthalene
CID 299007
1-Bromo-4-chloronaphthalene
CID 3745562
3-Bromo-5-chlorobiphenyl
CID 14452541
1-(Bromomethyl)-2-chloro-4-phenylbenzene
CID 21938332
2-(Bromomethyl)-1-chloro-3-methylbenzene
CID 22672606
3-Chloro-2-methylbiphenyl
CID 4601832

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-chloro-3-methylbenzene?
The IUPAC name of 2-(2-bromophenyl)-1-chloro-3-methylbenzene (CID 66251808) is 2-(2-bromophenyl)-1-chloro-3-methylbenzene.
What is the SMILES notation for 2-(2-bromophenyl)-1-chloro-3-methylbenzene?
The canonical SMILES for 2-(2-bromophenyl)-1-chloro-3-methylbenzene is Cc1cccc(Cl)c1-c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-chloro-3-methylbenzene?
The InChIKey is JUMGDCGDAKDFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl/c1-9-5-4-8-12(15)13(9)10-6-2-3-7-11(10)14/h2-8H,1H3.
What are the key properties of 2-(2-bromophenyl)-1-chloro-3-methylbenzene?
2-(2-bromophenyl)-1-chloro-3-methylbenzene 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 2-(2-bromophenyl)-1-chloro-3-methylbenzene is sourced from PubChem (CID 66251808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).