5-(4-bromo-2-chlorophenyl)furan-2-carboxylate

C11H5BrClO3- — CID 7394546

IUPAC5-(4-bromo-2-chlorophenyl)furan-2-carboxylate
SMILESO=C([O-])c1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C11H6BrClO3/c12-6-1-2-7(8(13)5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)/p-1
InChIKeyQIUJJLXAWQDFMX-UHFFFAOYSA-M
MW300.52 g/mol
LogP2.73
Rot. Bonds2

About 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate

5-(4-bromo-2-chlorophenyl)furan-2-carboxylate (PubChem CID 7394546) has the molecular formula C11H5BrClO3- and a molecular weight of 300.52 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)furan-2-carboxylate
PubChem CID7394546
Molecular FormulaC11H5BrClO3-
Molecular Weight300.52 g/mol
Exact Mass298.91
IUPAC Name5-(4-bromo-2-chlorophenyl)furan-2-carboxylate
SMILESO=C([O-])c1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C11H6BrClO3/c12-6-1-2-7(8(13)5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)/p-1
InChIKeyQIUJJLXAWQDFMX-UHFFFAOYSA-M
XLogP2.73
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
(E)-3-[5-(4-bromo-2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 17274084
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
disodium bis(5-chlorofuran-2-carboxylate)
CID 159781926
[5-(4-bromo-2-chlorophenyl)furan-2-yl]-(2-chlorophenothiazin-10-yl)methanone
CID 91689681
1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide
CID 100817444
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
CID 43347493
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one
CID 62632388
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 135635026
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate (CID 7394546) is 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate is O=C([O-])c1ccc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate?
The InChIKey is QIUJJLXAWQDFMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H6BrClO3/c12-6-1-2-7(8(13)5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)/p-1.
What are the key properties of 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate?
5-(4-bromo-2-chlorophenyl)furan-2-carboxylate has a molecular weight of 300.52 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 7394546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).