1-bromo-4-(1-chloropropyl)benzene

C9H10BrCl — CID 43114960

IUPAC1-bromo-4-(1-chloropropyl)benzene
SMILESCCC(Cl)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrCl/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3
InChIKeyISOZZCHOWVEQQL-UHFFFAOYSA-N
MW233.54 g/mol
LogP4.14
Rot. Bonds2

About 1-bromo-4-(1-chloropropyl)benzene

1-bromo-4-(1-chloropropyl)benzene (PubChem CID 43114960) has the molecular formula C9H10BrCl and a molecular weight of 233.54 g/mol. Its IUPAC name is 1-bromo-4-(1-chloropropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-chloropropyl)benzene
PubChem CID43114960
Molecular FormulaC9H10BrCl
Molecular Weight233.54 g/mol
Exact Mass231.97
IUPAC Name1-bromo-4-(1-chloropropyl)benzene
SMILESCCC(Cl)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrCl/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3
InChIKeyISOZZCHOWVEQQL-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.54
LogP ≤ 54.14
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-4-(1-chloro-3-methylpentyl)benzene
CID 114875996
3-(4-bromophenyl)-3-chloropropanal
CID 87667341
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
[(1S)-1-(4-bromophenyl)propyl]azanium
CID 7127716
1-(4-bromophenyl)propane-1-thiol
CID 43124141
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-bromo-4-(4-bromohexan-3-yl)benzene
CID 79307100
1-bromo-4-(1-chloro-2-methylpropyl)benzene
CID 63428554
1-bromo-4-(2-chlorobutyl)benzene
CID 18417634
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
CID 63520066
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-chloropropyl)benzene?
The IUPAC name of 1-bromo-4-(1-chloropropyl)benzene (CID 43114960) is 1-bromo-4-(1-chloropropyl)benzene.
What is the SMILES notation for 1-bromo-4-(1-chloropropyl)benzene?
The canonical SMILES for 1-bromo-4-(1-chloropropyl)benzene is CCC(Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-chloropropyl)benzene?
The InChIKey is ISOZZCHOWVEQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of 1-bromo-4-(1-chloropropyl)benzene?
1-bromo-4-(1-chloropropyl)benzene has a molecular weight of 233.54 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-chloropropyl)benzene is sourced from PubChem (CID 43114960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).