8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride

C18H15Br2ClO2 — CID 159949584

IUPAC8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccccc1Br.O=C1CCc2cccc(Br)c2C1
InChIInChI=1S/C10H9BrO.C8H6BrClO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10;9-7-4-2-1-3-6(7)5-8(10)11/h1-3H,4-6H2;1-4H,5H2
InChIKeyOBXXFPFMAHHOIT-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.26
Rot. Bonds2

About 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride

8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride (PubChem CID 159949584) has the molecular formula C18H15Br2ClO2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride.

Molecular Properties

Compound Name8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride
PubChem CID159949584
Molecular FormulaC18H15Br2ClO2
Molecular Weight458.58 g/mol
Exact Mass455.91
IUPAC Name8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccccc1Br.O=C1CCc2cccc(Br)c2C1
InChIInChI=1S/C10H9BrO.C8H6BrClO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10;9-7-4-2-1-3-6(7)5-8(10)11/h1-3H,4-6H2;1-4H,5H2
InChIKeyOBXXFPFMAHHOIT-UHFFFAOYSA-N
XLogP5.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride?
The IUPAC name of 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride (CID 159949584) is 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride.
What is the SMILES notation for 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride?
The canonical SMILES for 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride is O=C(Cl)Cc1ccccc1Br.O=C1CCc2cccc(Br)c2C1.
What is the InChIKey of 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride?
The InChIKey is OBXXFPFMAHHOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO.C8H6BrClO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10;9-7-4-2-1-3-6(7)5-8(10)11/h1-3H,4-6H2;1-4H,5H2.
What are the key properties of 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride?
8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride has a molecular weight of 458.58 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride is sourced from PubChem (CID 159949584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).