2-(2-oxochromen-3-yl)acetyl bromide

C11H7BrO3 — CID 166175025

IUPAC2-(2-oxochromen-3-yl)acetyl bromide
SMILESO=C(Br)Cc1cc2ccccc2oc1=O
InChIInChI=1S/C11H7BrO3/c12-10(13)6-8-5-7-3-1-2-4-9(7)15-11(8)14/h1-5H,6H2
InChIKeyIWWMSMCZQBKIBT-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.26
Rot. Bonds2

About 2-(2-oxochromen-3-yl)acetyl bromide

2-(2-oxochromen-3-yl)acetyl bromide (PubChem CID 166175025) has the molecular formula C11H7BrO3 and a molecular weight of 267.08 g/mol. Its IUPAC name is 2-(2-oxochromen-3-yl)acetyl bromide.

Molecular Properties

Compound Name2-(2-oxochromen-3-yl)acetyl bromide
PubChem CID166175025
Molecular FormulaC11H7BrO3
Molecular Weight267.08 g/mol
Exact Mass265.96
IUPAC Name2-(2-oxochromen-3-yl)acetyl bromide
SMILESO=C(Br)Cc1cc2ccccc2oc1=O
InChIInChI=1S/C11H7BrO3/c12-10(13)6-8-5-7-3-1-2-4-9(7)15-11(8)14/h1-5H,6H2
InChIKeyIWWMSMCZQBKIBT-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)chromen-2-one
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acetic acid;3-(hydroxymethyl)chromen-2-one
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CID 132548906
3-oxo-4-(2-oxochromen-3-yl)butane-1-sulfonic acid
CID 139325098
3-(2-bromoethyl)chromen-2-one;methanamine
CID 175061055
3-[2-(4-ethoxyphenyl)-2-oxoethyl]chromen-2-one
CID 4087917
[(2-oxochromen-3-yl)methylamino]methanesulfonic acid
CID 167094488
2-oxochromene-3-carboxylic acid
CID 161011590
3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
CID 10355547
3-[(3-bromo-5-chloro-4-hydroxyphenyl)methyl]chromen-2-one
CID 10338879
2-[(2-oxochromen-3-yl)methylsulfanylmethyl]guanidine
CID 167094657
3-(diethylamino)chromen-2-one;3-(hydroxymethyl)chromen-2-one
CID 87103222

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-3-yl)acetyl bromide?
The IUPAC name of 2-(2-oxochromen-3-yl)acetyl bromide (CID 166175025) is 2-(2-oxochromen-3-yl)acetyl bromide.
What is the SMILES notation for 2-(2-oxochromen-3-yl)acetyl bromide?
The canonical SMILES for 2-(2-oxochromen-3-yl)acetyl bromide is O=C(Br)Cc1cc2ccccc2oc1=O.
What is the InChIKey of 2-(2-oxochromen-3-yl)acetyl bromide?
The InChIKey is IWWMSMCZQBKIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO3/c12-10(13)6-8-5-7-3-1-2-4-9(7)15-11(8)14/h1-5H,6H2.
What are the key properties of 2-(2-oxochromen-3-yl)acetyl bromide?
2-(2-oxochromen-3-yl)acetyl bromide has a molecular weight of 267.08 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-3-yl)acetyl bromide is sourced from PubChem (CID 166175025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).