1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene

C10H9BrCl2 — CID 170500180

IUPAC1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene
SMILESClCCC=Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H9BrCl2/c11-9-5-8(3-1-2-4-12)6-10(13)7-9/h1,3,5-7H,2,4H2
InChIKeyFWYBKHNQKUWFDU-UHFFFAOYSA-N
MW279.99 g/mol
LogP4.74
Rot. Bonds3

About 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene

1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene (PubChem CID 170500180) has the molecular formula C10H9BrCl2 and a molecular weight of 279.99 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene
PubChem CID170500180
Molecular FormulaC10H9BrCl2
Molecular Weight279.99 g/mol
Exact Mass277.93
IUPAC Name1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene
SMILESClCCC=Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H9BrCl2/c11-9-5-8(3-1-2-4-12)6-10(13)7-9/h1,3,5-7H,2,4H2
InChIKeyFWYBKHNQKUWFDU-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.99
LogP ≤ 54.74
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-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene
CID 170498718
1-chloro-3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzene
CID 170499630
1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
CID 82085965
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
3-(3-bromo-5-chlorophenyl)prop-2-enoic acid
CID 53401688
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
CID 170498876
2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
CID 170498696
3-chloro-4-(4-chlorobut-1-enyl)benzaldehyde
CID 170499030
(3-bromo-5-chlorophenyl)methanimine
CID 176677036
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
2-chloro-4-(4-chlorobut-1-enyl)-1-(trifluoromethyl)benzene
CID 170499629
3-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476931

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene?
The IUPAC name of 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene (CID 170500180) is 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene is ClCCC=Cc1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene?
The InChIKey is FWYBKHNQKUWFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2/c11-9-5-8(3-1-2-4-12)6-10(13)7-9/h1,3,5-7H,2,4H2.
What are the key properties of 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene?
1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene has a molecular weight of 279.99 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene is sourced from PubChem (CID 170500180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).