2-(2-bromo-4-chlorophenoxy)propanoyl chloride

C9H7BrCl2O2 — CID 88743448

IUPAC2-(2-bromo-4-chlorophenoxy)propanoyl chloride
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Cl
InChIInChI=1S/C9H7BrCl2O2/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,1H3
InChIKeyVXSQJPVQYNXIJH-UHFFFAOYSA-N
MW297.96 g/mol
LogP3.64
Rot. Bonds3

About 2-(2-bromo-4-chlorophenoxy)propanoyl chloride

2-(2-bromo-4-chlorophenoxy)propanoyl chloride (PubChem CID 88743448) has the molecular formula C9H7BrCl2O2 and a molecular weight of 297.96 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)propanoyl chloride.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)propanoyl chloride
PubChem CID88743448
Molecular FormulaC9H7BrCl2O2
Molecular Weight297.96 g/mol
Exact Mass295.90
IUPAC Name2-(2-bromo-4-chlorophenoxy)propanoyl chloride
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Cl
InChIInChI=1S/C9H7BrCl2O2/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,1H3
InChIKeyVXSQJPVQYNXIJH-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.96
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626656
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)propanoyl chloride?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)propanoyl chloride (CID 88743448) is 2-(2-bromo-4-chlorophenoxy)propanoyl chloride.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)propanoyl chloride?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)propanoyl chloride is CC(Oc1ccc(Cl)cc1Br)C(=O)Cl.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)propanoyl chloride?
The InChIKey is VXSQJPVQYNXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2O2/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)propanoyl chloride?
2-(2-bromo-4-chlorophenoxy)propanoyl chloride has a molecular weight of 297.96 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)propanoyl chloride is sourced from PubChem (CID 88743448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).