1-bromo-3-(2-bromoethyl)-5-chlorobenzene

C8H7Br2Cl — CID 174607155

IUPAC1-bromo-3-(2-bromoethyl)-5-chlorobenzene
SMILESClc1cc(Br)cc(CCBr)c1
InChIInChI=1S/C8H7Br2Cl/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2
InChIKeySWWIMUUNKZVWFY-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.04
Rot. Bonds2

About 1-bromo-3-(2-bromoethyl)-5-chlorobenzene

1-bromo-3-(2-bromoethyl)-5-chlorobenzene (PubChem CID 174607155) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-bromo-3-(2-bromoethyl)-5-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-(2-bromoethyl)-5-chlorobenzene
PubChem CID174607155
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name1-bromo-3-(2-bromoethyl)-5-chlorobenzene
SMILESClc1cc(Br)cc(CCBr)c1
InChIInChI=1S/C8H7Br2Cl/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2
InChIKeySWWIMUUNKZVWFY-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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-bromo-3-chloro-5-(3-chloropropyl)benzene
CID 53403284
1-bromo-3-chloro-5-(cyclopropylmethyl)benzene
CID 122447294
3-bromo-5-(2-bromoethyl)benzonitrile
CID 174679514
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
N'-[(3-bromo-5-chlorophenyl)methyl]ethane-1,2-diamine
CID 107938708
1-bromo-3-chloro-5-(phenoxymethyl)benzene
CID 141438053
N-[(3-bromo-5-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 107938733
2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane
CID 162439412
3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine
CID 158546164
2-(3,5-dichlorophenyl)ethylhydrazine
CID 53402672
5-(3,5-dichlorophenyl)pentan-1-amine
CID 158105939
5-(2-bromoethyl)-1,2,3-trifluorobenzene
CID 22913642

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-bromoethyl)-5-chlorobenzene?
The IUPAC name of 1-bromo-3-(2-bromoethyl)-5-chlorobenzene (CID 174607155) is 1-bromo-3-(2-bromoethyl)-5-chlorobenzene.
What is the SMILES notation for 1-bromo-3-(2-bromoethyl)-5-chlorobenzene?
The canonical SMILES for 1-bromo-3-(2-bromoethyl)-5-chlorobenzene is Clc1cc(Br)cc(CCBr)c1.
What is the InChIKey of 1-bromo-3-(2-bromoethyl)-5-chlorobenzene?
The InChIKey is SWWIMUUNKZVWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2.
What are the key properties of 1-bromo-3-(2-bromoethyl)-5-chlorobenzene?
1-bromo-3-(2-bromoethyl)-5-chlorobenzene has a molecular weight of 298.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-bromoethyl)-5-chlorobenzene is sourced from PubChem (CID 174607155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).