(2-oxochromen-4-yl) 2-bromoacetate

C11H7BrO4 — CID 71403305

IUPAC(2-oxochromen-4-yl) 2-bromoacetate
SMILESO=C(CBr)Oc1cc(=O)oc2ccccc12
InChIInChI=1S/C11H7BrO4/c12-6-11(14)16-9-5-10(13)15-8-4-2-1-3-7(8)9/h1-5H,6H2
InChIKeySQCUEYSOGMCKOX-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.09
Rot. Bonds2

About (2-oxochromen-4-yl) 2-bromoacetate

(2-oxochromen-4-yl) 2-bromoacetate (PubChem CID 71403305) has the molecular formula C11H7BrO4 and a molecular weight of 283.08 g/mol. Its IUPAC name is (2-oxochromen-4-yl) 2-bromoacetate.

Molecular Properties

Compound Name(2-oxochromen-4-yl) 2-bromoacetate
PubChem CID71403305
Molecular FormulaC11H7BrO4
Molecular Weight283.08 g/mol
Exact Mass281.95
IUPAC Name(2-oxochromen-4-yl) 2-bromoacetate
SMILESO=C(CBr)Oc1cc(=O)oc2ccccc12
InChIInChI=1S/C11H7BrO4/c12-6-11(14)16-9-5-10(13)15-8-4-2-1-3-7(8)9/h1-5H,6H2
InChIKeySQCUEYSOGMCKOX-UHFFFAOYSA-N
XLogP2.09
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-4-yl) 2,2-dichloroacetate
CID 119090067
(2-oxochromen-4-yl) 2,2,3,3,3-pentafluoropropanoate
CID 91739886
4-ethoxychromen-2-one
CID 688703
(2-oxochromen-4-yl) 4-propan-2-yloxybenzoate
CID 888914
ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
(2-oxochromen-4-yl) 4-phenylmethoxybenzoate
CID 3794106
5-(2-oxochromen-4-yl)oxypentyl propanoate
CID 164525276
2-[2-(2-oxochromen-4-yl)oxyethoxy]ethyl 2-methylpropanoate
CID 167114866
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
CID 11311185
(6-chloro-4-methyl-2-oxochromen-7-yl) 2-bromoacetate
CID 125495360
3-(2-oxochromen-4-yl)oxypropyl 2-methylbutanoate
CID 164525443
4-fluorosulfonyloxy-2-oxochromene
CID 121429839

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-4-yl) 2-bromoacetate?
The IUPAC name of (2-oxochromen-4-yl) 2-bromoacetate (CID 71403305) is (2-oxochromen-4-yl) 2-bromoacetate.
What is the SMILES notation for (2-oxochromen-4-yl) 2-bromoacetate?
The canonical SMILES for (2-oxochromen-4-yl) 2-bromoacetate is O=C(CBr)Oc1cc(=O)oc2ccccc12.
What is the InChIKey of (2-oxochromen-4-yl) 2-bromoacetate?
The InChIKey is SQCUEYSOGMCKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO4/c12-6-11(14)16-9-5-10(13)15-8-4-2-1-3-7(8)9/h1-5H,6H2.
What are the key properties of (2-oxochromen-4-yl) 2-bromoacetate?
(2-oxochromen-4-yl) 2-bromoacetate has a molecular weight of 283.08 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-4-yl) 2-bromoacetate is sourced from PubChem (CID 71403305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).