5-bromo-2-chloro-3-ethylbenzoic acid

C9H8BrClO2 — CID 20977666

IUPAC5-bromo-2-chloro-3-ethylbenzoic acid
SMILESCCc1cc(Br)cc(C(=O)O)c1Cl
InChIInChI=1S/C9H8BrClO2/c1-2-5-3-6(10)4-7(8(5)11)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyIPCZNCDXBZDHEA-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.36
Rot. Bonds2

About 5-bromo-2-chloro-3-ethylbenzoic acid

5-bromo-2-chloro-3-ethylbenzoic acid (PubChem CID 20977666) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-ethylbenzoic acid.

Molecular Properties

Compound Name5-bromo-2-chloro-3-ethylbenzoic acid
PubChem CID20977666
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name5-bromo-2-chloro-3-ethylbenzoic acid
SMILESCCc1cc(Br)cc(C(=O)O)c1Cl
InChIInChI=1S/C9H8BrClO2/c1-2-5-3-6(10)4-7(8(5)11)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyIPCZNCDXBZDHEA-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-ethylbenzoic acid?
The IUPAC name of 5-bromo-2-chloro-3-ethylbenzoic acid (CID 20977666) is 5-bromo-2-chloro-3-ethylbenzoic acid.
What is the SMILES notation for 5-bromo-2-chloro-3-ethylbenzoic acid?
The canonical SMILES for 5-bromo-2-chloro-3-ethylbenzoic acid is CCc1cc(Br)cc(C(=O)O)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-ethylbenzoic acid?
The InChIKey is IPCZNCDXBZDHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-2-5-3-6(10)4-7(8(5)11)9(12)13/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-2-chloro-3-ethylbenzoic acid?
5-bromo-2-chloro-3-ethylbenzoic acid has a molecular weight of 263.52 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-ethylbenzoic acid is sourced from PubChem (CID 20977666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).