1-bromo-2-(1-bromoethyl)-4-chlorobenzene

C8H7Br2Cl — CID 165368615

IUPAC1-bromo-2-(1-bromoethyl)-4-chlorobenzene
SMILESCC(Br)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H7Br2Cl/c1-5(9)7-4-6(11)2-3-8(7)10/h2-5H,1H3
InChIKeyTWJSIBHMELAWHO-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.56
Rot. Bonds1

About 1-bromo-2-(1-bromoethyl)-4-chlorobenzene

1-bromo-2-(1-bromoethyl)-4-chlorobenzene (PubChem CID 165368615) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-bromo-2-(1-bromoethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-(1-bromoethyl)-4-chlorobenzene
PubChem CID165368615
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name1-bromo-2-(1-bromoethyl)-4-chlorobenzene
SMILESCC(Br)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H7Br2Cl/c1-5(9)7-4-6(11)2-3-8(7)10/h2-5H,1H3
InChIKeyTWJSIBHMELAWHO-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-3-(dibromomethyl)benzene
CID 96715
2-Bromo-5-chlorotoluene
CID 84476
2-Bromo-5-chlorobenzotrifluoride
CID 136172
2-Bromo-4-chloro-1-methylbenzene
CID 609898
5-Bromo-2-chlorotoluene
CID 609899
1-Chloro-4-(1,2-dibromoethyl)benzene
CID 11403793
1-Bromo-4-chloro-2-ethenylbenzene
CID 66158069
2-Bromo-6-chlorotoluene
CID 123552
1-(2-Bromoethyl)-3-chlorobenzene
CID 140140
2-Bromo-5-chloro-1,3-dimethylbenzene
CID 5324738
4-Bromo-3-chlorotoluene
CID 138789
2-Bromo-1-chloro-3-methylbenzene
CID 2735553

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-bromoethyl)-4-chlorobenzene?
The IUPAC name of 1-bromo-2-(1-bromoethyl)-4-chlorobenzene (CID 165368615) is 1-bromo-2-(1-bromoethyl)-4-chlorobenzene.
What is the SMILES notation for 1-bromo-2-(1-bromoethyl)-4-chlorobenzene?
The canonical SMILES for 1-bromo-2-(1-bromoethyl)-4-chlorobenzene is CC(Br)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-bromo-2-(1-bromoethyl)-4-chlorobenzene?
The InChIKey is TWJSIBHMELAWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c1-5(9)7-4-6(11)2-3-8(7)10/h2-5H,1H3.
What are the key properties of 1-bromo-2-(1-bromoethyl)-4-chlorobenzene?
1-bromo-2-(1-bromoethyl)-4-chlorobenzene has a molecular weight of 298.41 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-bromoethyl)-4-chlorobenzene is sourced from PubChem (CID 165368615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).