2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid

C11H9BrO3 — CID 116918592

IUPAC2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccccc1Br
InChIInChI=1S/C11H9BrO3/c12-9-4-2-1-3-6(9)10(13)7-5-8(7)11(14)15/h1-4,7-8H,5H2,(H,14,15)
InChIKeyOMLNPBQDODDHTQ-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid

2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 116918592) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid
PubChem CID116918592
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccccc1Br
InChIInChI=1S/C11H9BrO3/c12-9-4-2-1-3-6(9)10(13)7-5-8(7)11(14)15/h1-4,7-8H,5H2,(H,14,15)
InChIKeyOMLNPBQDODDHTQ-UHFFFAOYSA-N
XLogP2.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid (CID 116918592) is 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is OMLNPBQDODDHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c12-9-4-2-1-3-6(9)10(13)7-5-8(7)11(14)15/h1-4,7-8H,5H2,(H,14,15).
What are the key properties of 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid?
2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 269.09 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116918592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).