SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE

C9H5BrNaO3 — CID 126957561

IUPAC—
SMILESO=C(O)c1cc2cc(Br)ccc2o1.[Na]
InChIInChI=1S/C9H5BrO3.Na/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;/h1-4H,(H,11,12);
InChIKeyFKVCEXAAOARUTC-UHFFFAOYSA-N
MW264.03 g/mol
LogP2.51
Rot. Bonds1

About SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE

SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE (PubChem CID 126957561) has the molecular formula C9H5BrNaO3 and a molecular weight of 264.03 g/mol.

Molecular Properties

Compound NameSODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
PubChem CID126957561
Molecular FormulaC9H5BrNaO3
Molecular Weight264.03 g/mol
Exact Mass262.93
IUPAC Name—
SMILESO=C(O)c1cc2cc(Br)ccc2o1.[Na]
InChIInChI=1S/C9H5BrO3.Na/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;/h1-4H,(H,11,12);
InChIKeyFKVCEXAAOARUTC-UHFFFAOYSA-N
XLogP2.51
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.03
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-bromo-1-oxoisochromene-3-carboxylic acid
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5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
5-nitroso-1-benzofuran-2-carboxylic acid
CID 88894319
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
1-(5-bromo-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-one
CID 170859266
1-(5-bromo-1-benzofuran-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63319557
2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-2-methylbutanoic acid
CID 119198892
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241

Frequently Asked Questions

What is the IUPAC name of SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE?
The IUPAC name of SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE (CID 126957561) is not available.
What is the SMILES notation for SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE?
The canonical SMILES for SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE is O=C(O)c1cc2cc(Br)ccc2o1.[Na].
What is the InChIKey of SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE?
The InChIKey is FKVCEXAAOARUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO3.Na/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;/h1-4H,(H,11,12);.
What are the key properties of SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE?
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE has a molecular weight of 264.03 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE is sourced from PubChem (CID 126957561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).