4-(4-bromophenyl)thiophene-2-carbonyl chloride

C11H6BrClOS — CID 2757169

IUPAC4-(4-bromophenyl)thiophene-2-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H6BrClOS/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H
InChIKeyLJFNUVOADZQXSY-UHFFFAOYSA-N
MW301.59 g/mol
LogP4.56
Rot. Bonds2

About 4-(4-bromophenyl)thiophene-2-carbonyl chloride

4-(4-bromophenyl)thiophene-2-carbonyl chloride (PubChem CID 2757169) has the molecular formula C11H6BrClOS and a molecular weight of 301.59 g/mol. Its IUPAC name is 4-(4-bromophenyl)thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name4-(4-bromophenyl)thiophene-2-carbonyl chloride
PubChem CID2757169
Molecular FormulaC11H6BrClOS
Molecular Weight301.59 g/mol
Exact Mass299.90
IUPAC Name4-(4-bromophenyl)thiophene-2-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H6BrClOS/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H
InChIKeyLJFNUVOADZQXSY-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.59
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)thiophene-2-carbonyl chloride?
The IUPAC name of 4-(4-bromophenyl)thiophene-2-carbonyl chloride (CID 2757169) is 4-(4-bromophenyl)thiophene-2-carbonyl chloride.
What is the SMILES notation for 4-(4-bromophenyl)thiophene-2-carbonyl chloride?
The canonical SMILES for 4-(4-bromophenyl)thiophene-2-carbonyl chloride is O=C(Cl)c1cc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)thiophene-2-carbonyl chloride?
The InChIKey is LJFNUVOADZQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClOS/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H.
What are the key properties of 4-(4-bromophenyl)thiophene-2-carbonyl chloride?
4-(4-bromophenyl)thiophene-2-carbonyl chloride has a molecular weight of 301.59 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)thiophene-2-carbonyl chloride is sourced from PubChem (CID 2757169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).