1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid

C10H8BrClO2 — CID 83744840

IUPAC1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C10H8BrClO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyXHRHNFHYFQBJLJ-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.22
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid

1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 83744840) has the molecular formula C10H8BrClO2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID83744840
Molecular FormulaC10H8BrClO2
Molecular Weight275.53 g/mol
Exact Mass273.94
IUPAC Name1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C10H8BrClO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyXHRHNFHYFQBJLJ-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid (CID 83744840) is 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XHRHNFHYFQBJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid?
1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 275.53 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83744840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).