1-bromo-2,4-dichlorobenzene;propanal

C9H9BrCl2O — CID 174560641

IUPAC1-bromo-2,4-dichlorobenzene;propanal
SMILESCCC=O.Clc1ccc(Br)c(Cl)c1
InChIInChI=1S/C6H3BrCl2.C3H6O/c7-5-2-1-4(8)3-6(5)9;1-2-3-4/h1-3H;3H,2H2,1H3
InChIKeyDULTTXHUZLMDOW-UHFFFAOYSA-N
MW283.98 g/mol
LogP4.35
Rot. Bonds1

About 1-bromo-2,4-dichlorobenzene;propanal

1-bromo-2,4-dichlorobenzene;propanal (PubChem CID 174560641) has the molecular formula C9H9BrCl2O and a molecular weight of 283.98 g/mol. Its IUPAC name is 1-bromo-2,4-dichlorobenzene;propanal.

Molecular Properties

Compound Name1-bromo-2,4-dichlorobenzene;propanal
PubChem CID174560641
Molecular FormulaC9H9BrCl2O
Molecular Weight283.98 g/mol
Exact Mass281.92
IUPAC Name1-bromo-2,4-dichlorobenzene;propanal
SMILESCCC=O.Clc1ccc(Br)c(Cl)c1
InChIInChI=1S/C6H3BrCl2.C3H6O/c7-5-2-1-4(8)3-6(5)9;1-2-3-4/h1-3H;3H,2H2,1H3
InChIKeyDULTTXHUZLMDOW-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.98
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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CID 66159966
2-(4-bromo-3-chlorophenoxy)acetaldehyde
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CID 170482888
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
3-(2-bromo-4-chlorophenyl)propanal
CID 117372251
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
CID 117220623
4-chloro-N-methylaniline;propanal
CID 142927020
ethyl 3-(2-bromo-5-chlorophenyl)prop-2-ynoate
CID 67099338
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dichlorobenzene;propanal?
The IUPAC name of 1-bromo-2,4-dichlorobenzene;propanal (CID 174560641) is 1-bromo-2,4-dichlorobenzene;propanal.
What is the SMILES notation for 1-bromo-2,4-dichlorobenzene;propanal?
The canonical SMILES for 1-bromo-2,4-dichlorobenzene;propanal is CCC=O.Clc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2,4-dichlorobenzene;propanal?
The InChIKey is DULTTXHUZLMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2.C3H6O/c7-5-2-1-4(8)3-6(5)9;1-2-3-4/h1-3H;3H,2H2,1H3.
What are the key properties of 1-bromo-2,4-dichlorobenzene;propanal?
1-bromo-2,4-dichlorobenzene;propanal has a molecular weight of 283.98 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dichlorobenzene;propanal is sourced from PubChem (CID 174560641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).