1-bromo-4-(2,3-dichloropropyl)benzene

C9H9BrCl2 — CID 86177885

IUPAC1-bromo-4-(2,3-dichloropropyl)benzene
SMILESClCC(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrCl2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,9H,5-6H2
InChIKeyDFMPMGJHJDVGAD-UHFFFAOYSA-N
MW267.98 g/mol
LogP3.84
Rot. Bonds3

About 1-bromo-4-(2,3-dichloropropyl)benzene

1-bromo-4-(2,3-dichloropropyl)benzene (PubChem CID 86177885) has the molecular formula C9H9BrCl2 and a molecular weight of 267.98 g/mol. Its IUPAC name is 1-bromo-4-(2,3-dichloropropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2,3-dichloropropyl)benzene
PubChem CID86177885
Molecular FormulaC9H9BrCl2
Molecular Weight267.98 g/mol
Exact Mass265.93
IUPAC Name1-bromo-4-(2,3-dichloropropyl)benzene
SMILESClCC(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrCl2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,9H,5-6H2
InChIKeyDFMPMGJHJDVGAD-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.98
LogP ≤ 53.84
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-(2-chlorobutyl)benzene
CID 18417634
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
4-(2,3-dichloropropyl)benzaldehyde
CID 87468753
3-(4-bromophenyl)-2-chloropropanal
CID 62394635
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
1-bromo-4-[2-(chloromethyl)-3-methoxypropyl]benzene
CID 103985115
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
4-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,2-dichlorobenzene
CID 66035939
2-[4-(4-bromophenyl)-3-chlorobutyl]furan
CID 63519888
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
CID 63520066
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,3-dichloropropyl)benzene?
The IUPAC name of 1-bromo-4-(2,3-dichloropropyl)benzene (CID 86177885) is 1-bromo-4-(2,3-dichloropropyl)benzene.
What is the SMILES notation for 1-bromo-4-(2,3-dichloropropyl)benzene?
The canonical SMILES for 1-bromo-4-(2,3-dichloropropyl)benzene is ClCC(Cl)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2,3-dichloropropyl)benzene?
The InChIKey is DFMPMGJHJDVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,9H,5-6H2.
What are the key properties of 1-bromo-4-(2,3-dichloropropyl)benzene?
1-bromo-4-(2,3-dichloropropyl)benzene has a molecular weight of 267.98 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,3-dichloropropyl)benzene is sourced from PubChem (CID 86177885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).