2-(3-bromo-5-chlorophenyl)propanoyl chloride

C9H7BrCl2O — CID 57458809

IUPAC2-(3-bromo-5-chlorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H7BrCl2O/c1-5(9(12)13)6-2-7(10)4-8(11)3-6/h2-5H,1H3
InChIKeyRCCXYJMSYQOCTH-UHFFFAOYSA-N
MW281.96 g/mol
LogP3.97
Rot. Bonds2

About 2-(3-bromo-5-chlorophenyl)propanoyl chloride

2-(3-bromo-5-chlorophenyl)propanoyl chloride (PubChem CID 57458809) has the molecular formula C9H7BrCl2O and a molecular weight of 281.96 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)propanoyl chloride.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)propanoyl chloride
PubChem CID57458809
Molecular FormulaC9H7BrCl2O
Molecular Weight281.96 g/mol
Exact Mass279.91
IUPAC Name2-(3-bromo-5-chlorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H7BrCl2O/c1-5(9(12)13)6-2-7(10)4-8(11)3-6/h2-5H,1H3
InChIKeyRCCXYJMSYQOCTH-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
3-bromo-5-chlorobenzoyl chloride
CID 50998129
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one
CID 107957027
2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
CID 107954978
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107955917

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)propanoyl chloride?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)propanoyl chloride (CID 57458809) is 2-(3-bromo-5-chlorophenyl)propanoyl chloride.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)propanoyl chloride?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)propanoyl chloride is CC(C(=O)Cl)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)propanoyl chloride?
The InChIKey is RCCXYJMSYQOCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2O/c1-5(9(12)13)6-2-7(10)4-8(11)3-6/h2-5H,1H3.
What are the key properties of 2-(3-bromo-5-chlorophenyl)propanoyl chloride?
2-(3-bromo-5-chlorophenyl)propanoyl chloride has a molecular weight of 281.96 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)propanoyl chloride is sourced from PubChem (CID 57458809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).