1-chloro-3-(1,1-dibromoethyl)benzene

C8H7Br2Cl — CID 15877621

IUPAC1-chloro-3-(1,1-dibromoethyl)benzene
SMILESCC(Br)(Br)c1cccc(Cl)c1
InChIInChI=1S/C8H7Br2Cl/c1-8(9,10)6-3-2-4-7(11)5-6/h2-5H,1H3
InChIKeyDWQKMQKIQBSUOG-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.30
Rot. Bonds1

About 1-chloro-3-(1,1-dibromoethyl)benzene

1-chloro-3-(1,1-dibromoethyl)benzene (PubChem CID 15877621) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-chloro-3-(1,1-dibromoethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1,1-dibromoethyl)benzene
PubChem CID15877621
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name1-chloro-3-(1,1-dibromoethyl)benzene
SMILESCC(Br)(Br)c1cccc(Cl)c1
InChIInChI=1S/C8H7Br2Cl/c1-8(9,10)6-3-2-4-7(11)5-6/h2-5H,1H3
InChIKeyDWQKMQKIQBSUOG-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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

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1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
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CID 10585384
1-chloro-3-tritylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1,1-dibromoethyl)benzene?
The IUPAC name of 1-chloro-3-(1,1-dibromoethyl)benzene (CID 15877621) is 1-chloro-3-(1,1-dibromoethyl)benzene.
What is the SMILES notation for 1-chloro-3-(1,1-dibromoethyl)benzene?
The canonical SMILES for 1-chloro-3-(1,1-dibromoethyl)benzene is CC(Br)(Br)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1,1-dibromoethyl)benzene?
The InChIKey is DWQKMQKIQBSUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c1-8(9,10)6-3-2-4-7(11)5-6/h2-5H,1H3.
What are the key properties of 1-chloro-3-(1,1-dibromoethyl)benzene?
1-chloro-3-(1,1-dibromoethyl)benzene has a molecular weight of 298.41 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1,1-dibromoethyl)benzene is sourced from PubChem (CID 15877621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).