2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one

C9H6Br2Cl2O — CID 130136731

IUPAC2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
SMILESO=C(c1ccc(Cl)cc1Cl)C(Br)CBr
InChIInChI=1S/C9H6Br2Cl2O/c10-4-7(11)9(14)6-2-1-5(12)3-8(6)13/h1-3,7H,4H2
InChIKeyIXIUHHLXBGJPAE-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.33
Rot. Bonds3

About 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one

2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 130136731) has the molecular formula C9H6Br2Cl2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID130136731
Molecular FormulaC9H6Br2Cl2O
Molecular Weight360.86 g/mol
Exact Mass357.82
IUPAC Name2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
SMILESO=C(c1ccc(Cl)cc1Cl)C(Br)CBr
InChIInChI=1S/C9H6Br2Cl2O/c10-4-7(11)9(14)6-2-1-5(12)3-8(6)13/h1-3,7H,4H2
InChIKeyIXIUHHLXBGJPAE-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 130136778
2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
CID 130136876
2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 87217528
1-(2,4-dichlorophenyl)-2,4,4-trihydroxybutan-1-one
CID 141279955
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 20574469
2-bromo-2-(2,6-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 20574488
1-(2,4-dichlorophenyl)-2-(hydroxymethyl)butan-1-one
CID 116923109
[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone
CID 15065209
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one
CID 43801689

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one (CID 130136731) is 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one is O=C(c1ccc(Cl)cc1Cl)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is IXIUHHLXBGJPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2Cl2O/c10-4-7(11)9(14)6-2-1-5(12)3-8(6)13/h1-3,7H,4H2.
What are the key properties of 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one?
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 360.86 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 130136731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).