1-(2-bromo-3-chlorophenyl)propan-2-one

C9H8BrClO — CID 83724712

IUPAC1-(2-bromo-3-chlorophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(Cl)c1Br
InChIInChI=1S/C9H8BrClO/c1-6(12)5-7-3-2-4-8(11)9(7)10/h2-4H,5H2,1H3
InChIKeyWMKZWMYFDULARE-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-bromo-3-chlorophenyl)propan-2-one

1-(2-bromo-3-chlorophenyl)propan-2-one (PubChem CID 83724712) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)propan-2-one
PubChem CID83724712
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name1-(2-bromo-3-chlorophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(Cl)c1Br
InChIInChI=1S/C9H8BrClO/c1-6(12)5-7-3-2-4-8(11)9(7)10/h2-4H,5H2,1H3
InChIKeyWMKZWMYFDULARE-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)propan-2-one (CID 83724712) is 1-(2-bromo-3-chlorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)propan-2-one is CC(=O)Cc1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)propan-2-one?
The InChIKey is WMKZWMYFDULARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c1-6(12)5-7-3-2-4-8(11)9(7)10/h2-4H,5H2,1H3.
What are the key properties of 1-(2-bromo-3-chlorophenyl)propan-2-one?
1-(2-bromo-3-chlorophenyl)propan-2-one has a molecular weight of 247.52 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)propan-2-one is sourced from PubChem (CID 83724712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).