6-bromo-2-(chloromethyl)chromen-4-one

C10H6BrClO2 — CID 126484643

IUPAC6-bromo-2-(chloromethyl)chromen-4-one
SMILESO=c1cc(CCl)oc2ccc(Br)cc12
InChIInChI=1S/C10H6BrClO2/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,5H2
InChIKeyRCIHZZANPZSXFB-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.29
Rot. Bonds1

About 6-bromo-2-(chloromethyl)chromen-4-one

6-bromo-2-(chloromethyl)chromen-4-one (PubChem CID 126484643) has the molecular formula C10H6BrClO2 and a molecular weight of 273.51 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)chromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)chromen-4-one
PubChem CID126484643
Molecular FormulaC10H6BrClO2
Molecular Weight273.51 g/mol
Exact Mass271.92
IUPAC Name6-bromo-2-(chloromethyl)chromen-4-one
SMILESO=c1cc(CCl)oc2ccc(Br)cc12
InChIInChI=1S/C10H6BrClO2/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,5H2
InChIKeyRCIHZZANPZSXFB-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)chromen-4-one?
The IUPAC name of 6-bromo-2-(chloromethyl)chromen-4-one (CID 126484643) is 6-bromo-2-(chloromethyl)chromen-4-one.
What is the SMILES notation for 6-bromo-2-(chloromethyl)chromen-4-one?
The canonical SMILES for 6-bromo-2-(chloromethyl)chromen-4-one is O=c1cc(CCl)oc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(chloromethyl)chromen-4-one?
The InChIKey is RCIHZZANPZSXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClO2/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,5H2.
What are the key properties of 6-bromo-2-(chloromethyl)chromen-4-one?
6-bromo-2-(chloromethyl)chromen-4-one has a molecular weight of 273.51 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)chromen-4-one is sourced from PubChem (CID 126484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).