1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene

C193H222Br8Cl8F8 — CID 157078828

About 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene

1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene (PubChem CID 157078828) has the molecular formula C193H222Br8Cl8F8 and a molecular weight of 3616.74 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene.

Molecular Properties

• Compound Name: 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene
• PubChem CID: 157078828
• Molecular Formula: C193H222Br8Cl8F8
• Molecular Weight: 3616.74 g/mol
• Exact Mass: 3602.82
• IUPAC Name: 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene
• SMILES: C#CC.CC.CC.CC.Cc1ccc(Br)c(Cl)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1cccc(Br)c1F.Cc1cccc(C)c1Br.Cc1cccc(C)c1Br.Cc1cccc(C)c1Cl.Cc1cccc(Cl)c1F.Cc1cccc(F)c1Cl.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• InChI: InChI=1S/6C8H9Br.5C8H9Cl.5C8H9F.C7H6BrCl.C7H6BrF.2C7H6ClF.4C7H8.C3H4.3C2H6/c4*1-6-3-4-7(2)8(9)5-6;2*1-6-4-3-5-7(2)8(6)9;1-6-3-4-8(9)7(2)5-6;3*1-6-3-4-7(2)8(9)5-6;1-6-4-3-5-7(2)8(6)9;1-6-3-4-8(9)7(2)5-6;4*1-6-3-4-7(2)8(9)5-6;1-5-2-3-6(8)7(9)4-5;1-5-3-2-4-6(8)7(5)9;1-5-3-2-4-6(9)7(5)8;1-5-3-2-4-6(8)7(5)9;4*1-7-5-3-2-4-6-7;1-3-2;3*1-2/h16*3-5H,1-2H3;4*2-4H,1H3;4*2-6H,1H3;1H,2H3;3*1-2H3
• InChIKey: ADHDZXVZMHIMEF-UHFFFAOYSA-N
• XLogP: 68.97
• TPSA: 0.00 Ų
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3616.74
LogP ≤ 5	68.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene?

The IUPAC name of 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene (CID 157078828) is 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene.

What is the SMILES notation for 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene?

The canonical SMILES for 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene is C#CC.CC.CC.CC.Cc1ccc(Br)c(Cl)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1cccc(Br)c1F.Cc1cccc(C)c1Br.Cc1cccc(C)c1Br.Cc1cccc(C)c1Cl.Cc1cccc(Cl)c1F.Cc1cccc(F)c1Cl.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.

What is the InChIKey of 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene?

The InChIKey is ADHDZXVZMHIMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C8H9Br.5C8H9Cl.5C8H9F.C7H6BrCl.C7H6BrF.2C7H6ClF.4C7H8.C3H4.3C2H6/c4*1-6-3-4-7(2)8(9)5-6;2*1-6-4-3-5-7(2)8(6)9;1-6-3-4-8(9)7(2)5-6;3*1-6-3-4-7(2)8(9)5-6;1-6-4-3-5-7(2)8(6)9;1-6-3-4-8(9)7(2)5-6;4*1-6-3-4-7(2)8(9)5-6;1-5-2-3-6(8)7(9)4-5;1-5-3-2-4-6(8)7(5)9;1-5-3-2-4-6(9)7(5)8;1-5-3-2-4-6(8)7(5)9;4*1-7-5-3-2-4-6-7;1-3-2;3*1-2/h16*3-5H,1-2H3;4*2-4H,1H3;4*2-6H,1H3;1H,2H3;3*1-2H3.

What are the key properties of 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene?

1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene has a molecular weight of 3616.74 g/mol, XLogP of 68.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-chloro-4-methylbenzene;bis(2-bromo-1,3-dimethylbenzene);tetrakis(2-bromo-1,4-dimethylbenzene);1-bromo-2-fluoro-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1,3-dimethylbenzene;tris(2-chloro-1,4-dimethylbenzene);1-chloro-2-fluoro-3-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;ethane;1-fluoro-2,4-dimethylbenzene;tetrakis(2-fluoro-1,4-dimethylbenzene);prop-1-yne;toluene is sourced from PubChem (CID 157078828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).