7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid

C10H8BrClO3 — CID 162469817

IUPAC7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid
SMILESCC1(C(=O)O)Cc2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C10H8BrClO3/c1-10(9(13)14)4-5-2-6(12)3-7(11)8(5)15-10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyGJQFHIUSZRASGK-UHFFFAOYSA-N
MW291.53 g/mol
LogP2.88
Rot. Bonds1

About 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid

7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid (PubChem CID 162469817) has the molecular formula C10H8BrClO3 and a molecular weight of 291.53 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid
PubChem CID162469817
Molecular FormulaC10H8BrClO3
Molecular Weight291.53 g/mol
Exact Mass289.93
IUPAC Name7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid
SMILESCC1(C(=O)O)Cc2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C10H8BrClO3/c1-10(9(13)14)4-5-2-6(12)3-7(11)8(5)15-10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyGJQFHIUSZRASGK-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid (CID 162469817) is 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid is CC1(C(=O)O)Cc2cc(Cl)cc(Br)c2O1.
What is the InChIKey of 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid?
The InChIKey is GJQFHIUSZRASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO3/c1-10(9(13)14)4-5-2-6(12)3-7(11)8(5)15-10/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid?
7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid has a molecular weight of 291.53 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 162469817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).