4-bromo-2-chloro-1-(2-chloropropyl)benzene

C9H9BrCl2 — CID 130480423

IUPAC4-bromo-2-chloro-1-(2-chloropropyl)benzene
SMILESCC(Cl)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2/c1-6(11)4-7-2-3-8(10)5-9(7)12/h2-3,5-6H,4H2,1H3
InChIKeyUMNCCAZLFYNRSR-UHFFFAOYSA-N
MW267.98 g/mol
LogP4.27
Rot. Bonds2

About 4-bromo-2-chloro-1-(2-chloropropyl)benzene

4-bromo-2-chloro-1-(2-chloropropyl)benzene (PubChem CID 130480423) has the molecular formula C9H9BrCl2 and a molecular weight of 267.98 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(2-chloropropyl)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(2-chloropropyl)benzene
PubChem CID130480423
Molecular FormulaC9H9BrCl2
Molecular Weight267.98 g/mol
Exact Mass265.93
IUPAC Name4-bromo-2-chloro-1-(2-chloropropyl)benzene
SMILESCC(Cl)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2/c1-6(11)4-7-2-3-8(10)5-9(7)12/h2-3,5-6H,4H2,1H3
InChIKeyUMNCCAZLFYNRSR-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.98
LogP ≤ 54.27
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-(4-bromo-2-chlorophenyl)-3,5-dimethylhexan-2-ol
CID 114200534
1-(4-bromo-2-chlorophenyl)-3,4,4-trimethylpentan-2-ol
CID 114270641
ethyl 3-(4-bromo-2-chlorophenyl)-2-chloropropanoate
CID 83195199
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
(2S)-N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbutan-2-amine
CID 97357838
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylsulfanylpropan-2-ol
CID 113471219
[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105335234
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
N-[3-(4-bromo-2-chlorophenyl)-2-fluoropropyl]-2-methylpropan-2-amine
CID 107446691
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(2-chloropropyl)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(2-chloropropyl)benzene (CID 130480423) is 4-bromo-2-chloro-1-(2-chloropropyl)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(2-chloropropyl)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(2-chloropropyl)benzene is CC(Cl)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-(2-chloropropyl)benzene?
The InChIKey is UMNCCAZLFYNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2/c1-6(11)4-7-2-3-8(10)5-9(7)12/h2-3,5-6H,4H2,1H3.
What are the key properties of 4-bromo-2-chloro-1-(2-chloropropyl)benzene?
4-bromo-2-chloro-1-(2-chloropropyl)benzene has a molecular weight of 267.98 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(2-chloropropyl)benzene is sourced from PubChem (CID 130480423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).