1,3-dibromo-5-(2-chloroethyl)benzene

C8H7Br2Cl — CID 53443943

IUPAC1,3-dibromo-5-(2-chloroethyl)benzene
SMILESClCCc1cc(Br)cc(Br)c1
InChIInChI=1S/C8H7Br2Cl/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1-2H2
InChIKeyRVZFPSSUSRMCTN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.99
Rot. Bonds2

About 1,3-dibromo-5-(2-chloroethyl)benzene

1,3-dibromo-5-(2-chloroethyl)benzene (PubChem CID 53443943) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 1,3-dibromo-5-(2-chloroethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(2-chloroethyl)benzene
PubChem CID53443943
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name1,3-dibromo-5-(2-chloroethyl)benzene
SMILESClCCc1cc(Br)cc(Br)c1
InChIInChI=1S/C8H7Br2Cl/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1-2H2
InChIKeyRVZFPSSUSRMCTN-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-(2-chloroethyl)benzene?
The IUPAC name of 1,3-dibromo-5-(2-chloroethyl)benzene (CID 53443943) is 1,3-dibromo-5-(2-chloroethyl)benzene.
What is the SMILES notation for 1,3-dibromo-5-(2-chloroethyl)benzene?
The canonical SMILES for 1,3-dibromo-5-(2-chloroethyl)benzene is ClCCc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-(2-chloroethyl)benzene?
The InChIKey is RVZFPSSUSRMCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1-2H2.
What are the key properties of 1,3-dibromo-5-(2-chloroethyl)benzene?
1,3-dibromo-5-(2-chloroethyl)benzene has a molecular weight of 298.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-(2-chloroethyl)benzene is sourced from PubChem (CID 53443943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).