3-bromo-2-chloro-6-(furan-2-yl)benzoic acid

C11H6BrClO3 — CID 168525828

IUPAC3-bromo-2-chloro-6-(furan-2-yl)benzoic acid
SMILESO=C(O)c1c(-c2ccco2)ccc(Br)c1Cl
InChIInChI=1S/C11H6BrClO3/c12-7-4-3-6(8-2-1-5-16-8)9(10(7)13)11(14)15/h1-5H,(H,14,15)
InChIKeyLDAKRQAISXRCRO-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.06
Rot. Bonds2

About 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid

3-bromo-2-chloro-6-(furan-2-yl)benzoic acid (PubChem CID 168525828) has the molecular formula C11H6BrClO3 and a molecular weight of 301.52 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid.

Molecular Properties

Compound Name3-bromo-2-chloro-6-(furan-2-yl)benzoic acid
PubChem CID168525828
Molecular FormulaC11H6BrClO3
Molecular Weight301.52 g/mol
Exact Mass299.92
IUPAC Name3-bromo-2-chloro-6-(furan-2-yl)benzoic acid
SMILESO=C(O)c1c(-c2ccco2)ccc(Br)c1Cl
InChIInChI=1S/C11H6BrClO3/c12-7-4-3-6(8-2-1-5-16-8)9(10(7)13)11(14)15/h1-5H,(H,14,15)
InChIKeyLDAKRQAISXRCRO-UHFFFAOYSA-N
XLogP4.06
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(furan-2-yl)-4-methylbenzoic acid
CID 168525376
2-(2,4-dibromo-3-methylphenyl)furan
CID 168526027
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 91672852
3-bromo-2-chloro-6-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168517197
3-bromo-2-chloro-6-(difluoromethyl)benzoic acid
CID 131362271
6-amino-3-(furan-2-yl)pyridine-2-carboxylic acid
CID 53229114
2-(furan-2-yl)furan-3,4-dicarboxylic acid
CID 153344951
2-amino-3-(furan-2-yl)benzoic acid
CID 10798178
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
2-(4-bromo-2-methoxy-3-methylphenyl)furan
CID 168525781
N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
CID 168528492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid?
The IUPAC name of 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid (CID 168525828) is 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid.
What is the SMILES notation for 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid?
The canonical SMILES for 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid is O=C(O)c1c(-c2ccco2)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid?
The InChIKey is LDAKRQAISXRCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClO3/c12-7-4-3-6(8-2-1-5-16-8)9(10(7)13)11(14)15/h1-5H,(H,14,15).
What are the key properties of 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid?
3-bromo-2-chloro-6-(furan-2-yl)benzoic acid has a molecular weight of 301.52 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-(furan-2-yl)benzoic acid is sourced from PubChem (CID 168525828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).